2-(Benzylamino)ethanol

2-(Benzylamino)ethanol

Cat. No.: PI104632

Product Details Other Identifiers Computed Properties
CAS 104-63-2
Purity 98%
Molecular Formula C9H13NO
Molecular Weight 151.21
Molar Refractivity 44.99
Pubchem ID 4348
InChI Key XNIOWJUQPMKCIJ-UHFFFAOYSA-N
MDL Number MFCD00002840
Hydrogen Bond Donor Count 2.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 4
Topological Polar Surface Area 32.26 Ų
Heavy Atom Count 11
Aromatic Heavy Atoms Number 6
Fraction Csp3 0.33
Log Po/w (iLOGP) 1.97
Log Po/w (XLOGP3) 0.79
Log Po/w (WLOGP) 0.62
Log Po/w (MLOGP) 1.26
Log Po/w (SILICOS-IT) 1.55
Consensus Log Po/w 1.24
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor Yes
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -6.66 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 1.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 1.0

* Our products are for research use only.

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