1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one

C17H24ClNO — CID 63568414

IUPAC1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCC(N(C)C(C)C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c1-12-4-10-16(11-5-12)19(3)13(2)17(20)14-6-8-15(18)9-7-14/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyOFBFNGRGPQUAQV-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one

1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one (PubChem CID 63568414) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
PubChem CID63568414
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCC(N(C)C(C)C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c1-12-4-10-16(11-5-12)19(3)13(2)17(20)14-6-8-15(18)9-7-14/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyOFBFNGRGPQUAQV-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 60678397
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82742632
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 61446211
1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051389
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796020
2-[[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 74675316
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 42942869
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62052939
1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62052545
1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one
CID 158974687

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one (CID 63568414) is 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one is CC1CCC(N(C)C(C)C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one?
The InChIKey is OFBFNGRGPQUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12-4-10-16(11-5-12)19(3)13(2)17(20)14-6-8-15(18)9-7-14/h6-9,12-13,16H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one?
1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one has a molecular weight of 293.84 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one is sourced from PubChem (CID 63568414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).