(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol

C15H23NO2 — CID 67789671

IUPAC(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol
SMILESCCO.OCC1C2CC2CN1Cc1ccccc1
InChIInChI=1S/C13H17NO.C2H6O/c15-9-13-12-6-11(12)8-14(13)7-10-4-2-1-3-5-10;1-2-3/h1-5,11-13,15H,6-9H2;3H,2H2,1H3
InChIKeyDCQQRADFPLVMJQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.50
Rot. Bonds3

About (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol

(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol (PubChem CID 67789671) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol.

Molecular Properties

Compound Name(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol
PubChem CID67789671
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol
SMILESCCO.OCC1C2CC2CN1Cc1ccccc1
InChIInChI=1S/C13H17NO.C2H6O/c15-9-13-12-6-11(12)8-14(13)7-10-4-2-1-3-5-10;1-2-3/h1-5,11-13,15H,6-9H2;3H,2H2,1H3
InChIKeyDCQQRADFPLVMJQ-UHFFFAOYSA-N
XLogP1.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 90065591
(1S,2S,5R)-3-benzyl-2-(3-chloropropyl)-3-azabicyclo[3.1.0]hexane
CID 164675319
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol
CID 10518569
3-[1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]but-3-en-2-one
CID 123675644
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
benzyl (2S,5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 58908385
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 58099616

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol?
The IUPAC name of (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol (CID 67789671) is (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol.
What is the SMILES notation for (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol?
The canonical SMILES for (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol is CCO.OCC1C2CC2CN1Cc1ccccc1.
What is the InChIKey of (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol?
The InChIKey is DCQQRADFPLVMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6O/c15-9-13-12-6-11(12)8-14(13)7-10-4-2-1-3-5-10;1-2-3/h1-5,11-13,15H,6-9H2;3H,2H2,1H3.
What are the key properties of (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol?
(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol has a molecular weight of 249.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol is sourced from PubChem (CID 67789671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).