4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one

C14H18ClNO — CID 116957064

IUPAC4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
SMILESCNC(c1ccc(Cl)cc1)C1CCC(=O)CC1
InChIInChI=1S/C14H18ClNO/c1-16-14(10-2-6-12(15)7-3-10)11-4-8-13(17)9-5-11/h2-3,6-7,11,14,16H,4-5,8-9H2,1H3
InChIKeyWHELOVYFNMFDOP-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.36
Rot. Bonds3

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

4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one (PubChem CID 116957064) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
PubChem CID116957064
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
SMILESCNC(c1ccc(Cl)cc1)C1CCC(=O)CC1
InChIInChI=1S/C14H18ClNO/c1-16-14(10-2-6-12(15)7-3-10)11-4-8-13(17)9-5-11/h2-3,6-7,11,14,16H,4-5,8-9H2,1H3
InChIKeyWHELOVYFNMFDOP-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957100
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957084
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
4-[cyclobutyl(methylamino)methyl]-N-methylaniline
CID 116952141
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one (CID 116957064) is 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one is CNC(c1ccc(Cl)cc1)C1CCC(=O)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one?
The InChIKey is WHELOVYFNMFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-16-14(10-2-6-12(15)7-3-10)11-4-8-13(17)9-5-11/h2-3,6-7,11,14,16H,4-5,8-9H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one?
4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 116957064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).