1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one

C16H23NO — CID 116596015

IUPAC1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
SMILESNCc1ccccc1CC(=O)CC1CCCCC1
InChIInChI=1S/C16H23NO/c17-12-15-9-5-4-8-14(15)11-16(18)10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,17H2
InChIKeyIXCTXJBDBDENCQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one

1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one (PubChem CID 116596015) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
PubChem CID116596015
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
SMILESNCc1ccccc1CC(=O)CC1CCCCC1
InChIInChI=1S/C16H23NO/c17-12-15-9-5-4-8-14(15)11-16(18)10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,17H2
InChIKeyIXCTXJBDBDENCQ-UHFFFAOYSA-N
XLogP3.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
CID 174883544
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
1-[2-(aminomethyl)phenyl]-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-one
CID 116595996
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one (CID 116596015) is 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one is NCc1ccccc1CC(=O)CC1CCCCC1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one?
The InChIKey is IXCTXJBDBDENCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-12-15-9-5-4-8-14(15)11-16(18)10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,17H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one?
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one is sourced from PubChem (CID 116596015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).