2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride

Cat. No.: PI139525772

Product Details Other Identifiers Computed Properties

CAS	139525-77-2
Purity	97%
Molecular Formula	C13H16ClNO
Molecular Weight	237.73
Molar Refractivity	69.89

Pubchem ID	16050055
InChI Key	HPYGZUDDGWEYDQ-UHFFFAOYSA-N
MDL Number	MFCD13185884

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	35.25 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.23
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	3.26
Log Po/w (WLOGP)	3.15
Log Po/w (MLOGP)	2.72
Log Po/w (SILICOS-IT)	2.93
Consensus Log Po/w	2.41
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.44 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	1.27

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