3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane

C14H19N — CID 91139311

IUPAC3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCCc1ccc(CN2CC3CC3C2)cc1
InChIInChI=1S/C14H19N/c1-2-11-3-5-12(6-4-11)8-15-9-13-7-14(13)10-15/h3-6,13-14H,2,7-10H2,1H3
InChIKeyHSTGWVLGCSGJHA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.70
Rot. Bonds3

About 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane

3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 91139311) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID91139311
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCCc1ccc(CN2CC3CC3C2)cc1
InChIInChI=1S/C14H19N/c1-2-11-3-5-12(6-4-11)8-15-9-13-7-14(13)10-15/h3-6,13-14H,2,7-10H2,1H3
InChIKeyHSTGWVLGCSGJHA-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)aniline
CID 83817821
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine
CID 138715323
3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 171523193
3-azabicyclo[3.1.0]hexane;3-benzyl-3-azabicyclo[3.1.0]hexane;methanol;hydrochloride
CID 160557029
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
3-chloro-1-[(4-ethylphenyl)methyl]piperidine
CID 63386785

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane (CID 91139311) is 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane is CCc1ccc(CN2CC3CC3C2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is HSTGWVLGCSGJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-11-3-5-12(6-4-11)8-15-9-13-7-14(13)10-15/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane?
3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 201.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91139311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).