(3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol

C19H21NO — CID 156779773

IUPAC(3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
SMILESOCC1C2CN(Cc3ccccc3)CC12c1ccccc1
InChIInChI=1S/C19H21NO/c21-13-18-17-12-20(11-15-7-3-1-4-8-15)14-19(17,18)16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2
InChIKeyPEFDTMVQKOBKMY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds4

About (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol

(3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol (PubChem CID 156779773) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol.

Molecular Properties

Compound Name(3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
PubChem CID156779773
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
SMILESOCC1C2CN(Cc3ccccc3)CC12c1ccccc1
InChIInChI=1S/C19H21NO/c21-13-18-17-12-20(11-15-7-3-1-4-8-15)14-19(17,18)16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2
InChIKeyPEFDTMVQKOBKMY-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
2-(3-benzyl-1-bromo-3-azabicyclo[3.1.0]hexan-6-yl)acetic acid
CID 156779776
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 138387325
3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
CID 47003608
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The IUPAC name of (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol (CID 156779773) is (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol.
What is the SMILES notation for (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The canonical SMILES for (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol is OCC1C2CN(Cc3ccccc3)CC12c1ccccc1.
What is the InChIKey of (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The InChIKey is PEFDTMVQKOBKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-13-18-17-12-20(11-15-7-3-1-4-8-15)14-19(17,18)16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2.
What are the key properties of (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
(3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol has a molecular weight of 279.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol is sourced from PubChem (CID 156779773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).