4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one

C15H21NO2 — CID 79119525

IUPAC4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
SMILESCOc1cccc(CN(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO2/c1-16(13-6-8-14(17)9-7-13)11-12-4-3-5-15(10-12)18-2/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyMQLSKQHDTBPXDE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds4

About 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one

4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one (PubChem CID 79119525) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
PubChem CID79119525
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
SMILESCOc1cccc(CN(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO2/c1-16(13-6-8-14(17)9-7-13)11-12-4-3-5-15(10-12)18-2/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyMQLSKQHDTBPXDE-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
4-[(3,4-dimethoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119947
4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
CID 117039753
4-[(3-methoxy-5-nitrophenyl)methyl-methylamino]cyclohexan-1-one
CID 81144978
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120425
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
4-[(3,4-dimethylphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120330
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165471

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one (CID 79119525) is 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one is COc1cccc(CN(C)C2CCC(=O)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
The InChIKey is MQLSKQHDTBPXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(13-6-8-14(17)9-7-13)11-12-4-3-5-15(10-12)18-2/h3-5,10,13H,6-9,11H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one?
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79119525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).