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

C17H23Cl2NO — CID 63565936

IUPAC1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCCC1N(C)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2NO/c1-11-6-4-5-7-16(11)20(3)12(2)17(21)14-9-8-13(18)10-15(14)19/h8-12,16H,4-7H2,1-3H3
InChIKeyXOHBDAPTCRWHQT-UHFFFAOYSA-N
MW328.28 g/mol
LogP5.08
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one (PubChem CID 63565936) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
PubChem CID63565936
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCCC1N(C)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2NO/c1-11-6-4-5-7-16(11)20(3)12(2)17(21)14-9-8-13(18)10-15(14)19/h8-12,16H,4-7H2,1-3H3
InChIKeyXOHBDAPTCRWHQT-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63713469
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63567175
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100516
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114679261
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one (CID 63565936) is 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one is CC1CCCCC1N(C)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
The InChIKey is XOHBDAPTCRWHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-11-6-4-5-7-16(11)20(3)12(2)17(21)14-9-8-13(18)10-15(14)19/h8-12,16H,4-7H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one?
1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one has a molecular weight of 328.28 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one is sourced from PubChem (CID 63565936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).