3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one

C15H21NO — CID 79619185

IUPAC3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one
SMILESCc1cccc(CN(C)C2CCCC(=O)C2)c1
InChIInChI=1S/C15H21NO/c1-12-5-3-6-13(9-12)11-16(2)14-7-4-8-15(17)10-14/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3
InChIKeyKOYYXCUGTYWHPJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds3

About 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one

3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one (PubChem CID 79619185) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one
PubChem CID79619185
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one
SMILESCc1cccc(CN(C)C2CCCC(=O)C2)c1
InChIInChI=1S/C15H21NO/c1-12-5-3-6-13(9-12)11-16(2)14-7-4-8-15(17)10-14/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3
InChIKeyKOYYXCUGTYWHPJ-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 64520140
1-N,3-N-dimethyl-3-N-[(3-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643539
3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117042985
2-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 61414255
4-[(3,4-dimethylphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120330
N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71634575
3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
CID 79618179
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one?
The IUPAC name of 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one (CID 79619185) is 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one.
What is the SMILES notation for 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one?
The canonical SMILES for 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one is Cc1cccc(CN(C)C2CCCC(=O)C2)c1.
What is the InChIKey of 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one?
The InChIKey is KOYYXCUGTYWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-3-6-13(9-12)11-16(2)14-7-4-8-15(17)10-14/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3.
What are the key properties of 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one?
3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one is sourced from PubChem (CID 79619185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).