1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one

C15H22ClNO — CID 62631217

IUPAC1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
SMILESCCN(CCC(=O)c1cccc(Cl)c1)CC(C)C
InChIInChI=1S/C15H22ClNO/c1-4-17(11-12(2)3)9-8-15(18)13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyWDOVFBGLGVCBLW-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.89
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one

1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one (PubChem CID 62631217) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
PubChem CID62631217
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
SMILESCCN(CCC(=O)c1cccc(Cl)c1)CC(C)C
InChIInChI=1S/C15H22ClNO/c1-4-17(11-12(2)3)9-8-15(18)13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyWDOVFBGLGVCBLW-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[propan-2-yl(propyl)amino]propan-1-one
CID 62630366
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
CID 62619386
1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
CID 81073777
1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
CID 62628661
1-(3-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-1-one
CID 112664545
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
1-(4-bromophenyl)-4-[ethyl(2-methylpropyl)amino]butan-1-one
CID 43793005

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one (CID 62631217) is 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one is CCN(CCC(=O)c1cccc(Cl)c1)CC(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one?
The InChIKey is WDOVFBGLGVCBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-17(11-12(2)3)9-8-15(18)13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one?
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one has a molecular weight of 267.80 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one is sourced from PubChem (CID 62631217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).