[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C13H16ClNO — CID 115009445

IUPAC[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(Cc3ccccc3Cl)CC12
InChIInChI=1S/C13H16ClNO/c14-13-4-2-1-3-9(13)5-15-6-10-11(7-15)12(10)8-16/h1-4,10-12,16H,5-8H2
InChIKeyMVBHQYUCNFHIEO-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.01
Rot. Bonds3

About [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 115009445) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID115009445
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(Cc3ccccc3Cl)CC12
InChIInChI=1S/C13H16ClNO/c14-13-4-2-1-3-9(13)5-15-6-10-11(7-15)12(10)8-16/h1-4,10-12,16H,5-8H2
InChIKeyMVBHQYUCNFHIEO-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 175322165
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
3-azido-1-[(2-chlorophenyl)methyl]azetidine
CID 121200161
3-[(2-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927319
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 115009445) is [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1C2CN(Cc3ccccc3Cl)CC12.
What is the InChIKey of [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is MVBHQYUCNFHIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13-4-2-1-3-9(13)5-15-6-10-11(7-15)12(10)8-16/h1-4,10-12,16H,5-8H2.
What are the key properties of [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 237.73 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 115009445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).