2-(2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethanamine hydrochloride

Cat. No.: PI1053239396

Product Details Other Identifiers Computed Properties

CAS	1053239-39-6
Purity	min. 95%
Molecular Formula	C13H18ClNO
Molecular Weight	239.74
Molar Refractivity	67.7

Pubchem ID	18369596
InChI Key	PTRBVFJPGFTDDU-UHFFFAOYSA-N
MDL Number	MFCD11865055

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	35.25 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.54
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	2.77
Log Po/w (WLOGP)	2.8
Log Po/w (MLOGP)	2.55
Log Po/w (SILICOS-IT)	3.17
Consensus Log Po/w	2.26
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.8 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.86

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