[1-(2-cyclohexylphenyl)cyclobutyl]methanamine

C17H25N — CID 117360932

IUPAC[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccccc2C2CCCCC2)CCC1
InChIInChI=1S/C17H25N/c18-13-17(11-6-12-17)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13,18H2
InChIKeyOWXSHJHODHORME-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.11
Rot. Bonds3

About [1-(2-cyclohexylphenyl)cyclobutyl]methanamine

[1-(2-cyclohexylphenyl)cyclobutyl]methanamine (PubChem CID 117360932) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-(2-cyclohexylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
PubChem CID117360932
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccccc2C2CCCCC2)CCC1
InChIInChI=1S/C17H25N/c18-13-17(11-6-12-17)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13,18H2
InChIKeyOWXSHJHODHORME-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
CID 117397248
1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine
CID 117408838
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
[1-(2-piperidin-1-ylphenyl)cyclobutyl]methanamine
CID 117363360
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-cyclohexylphenyl)cyclobutyl]methanamine (CID 117360932) is [1-(2-cyclohexylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-cyclohexylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-cyclohexylphenyl)cyclobutyl]methanamine is NCC1(c2ccccc2C2CCCCC2)CCC1.
What is the InChIKey of [1-(2-cyclohexylphenyl)cyclobutyl]methanamine?
The InChIKey is OWXSHJHODHORME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c18-13-17(11-6-12-17)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13,18H2.
What are the key properties of [1-(2-cyclohexylphenyl)cyclobutyl]methanamine?
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine has a molecular weight of 243.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117360932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).