[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone

C15H21NO — CID 116604093

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
SMILESCC1CCC(CN)(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-12-7-9-15(11-16,10-8-12)14(17)13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3
InChIKeyTWZOJMOVZCMBKZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone

[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone (PubChem CID 116604093) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
PubChem CID116604093
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
SMILESCC1CCC(CN)(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-12-7-9-15(11-16,10-8-12)14(17)13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3
InChIKeyTWZOJMOVZCMBKZ-UHFFFAOYSA-N
XLogP3.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
CID 116604104
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
CID 116604116
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone
CID 116604200
[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
CID 116604219
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 115442062
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180
[1-(aminomethyl)-4-methylcyclohexyl]-isoquinolin-4-ylmethanone
CID 116604076
[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone (CID 116604093) is [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone is CC1CCC(CN)(C(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone?
The InChIKey is TWZOJMOVZCMBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-9-15(11-16,10-8-12)14(17)13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone?
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone has a molecular weight of 231.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone is sourced from PubChem (CID 116604093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).