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

C15H22ClNO — CID 63964851

IUPAC1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
SMILESCCC(C)(C)N(C)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-6-15(3,4)17(5)11(2)14(18)12-7-9-13(16)10-8-12/h7-11H,6H2,1-5H3
InChIKeyDOZVDICKRUXNLC-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.03
Rot. Bonds5

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

1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one (PubChem CID 63964851) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
PubChem CID63964851
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
SMILESCCC(C)(C)N(C)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-6-15(3,4)17(5)11(2)14(18)12-7-9-13(16)10-8-12/h7-11H,6H2,1-5H3
InChIKeyDOZVDICKRUXNLC-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
CID 79476971
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796020
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62052939
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62037462
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
1-(4-chlorophenyl)-3,3-difluoro-2-methylbutan-1-one
CID 130605207
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 62031823
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79054221
3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 82325390
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
1,2-bis(4-chlorophenyl)-2,2-bis[2-(diethylamino)propoxy]ethanone
CID 23459050

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one (CID 63964851) is 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one is CCC(C)(C)N(C)C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one?
The InChIKey is DOZVDICKRUXNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-6-15(3,4)17(5)11(2)14(18)12-7-9-13(16)10-8-12/h7-11H,6H2,1-5H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one?
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one has a molecular weight of 267.80 g/mol, XLogP of 4.03, 5 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(2-methylbutan-2-yl)amino]propan-1-one is sourced from PubChem (CID 63964851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).