1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone

C14H20ClNO — CID 43796175

IUPAC1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-4-11(2)9-16(3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyULPSXDHVIUQPEC-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.50
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone

1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone (PubChem CID 43796175) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
PubChem CID43796175
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-4-11(2)9-16(3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyULPSXDHVIUQPEC-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
1-(3-chlorophenyl)-2-(2-methylbutylsulfanyl)ethanone
CID 107752683
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone (CID 43796175) is 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone is CCC(C)CN(C)CC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The InChIKey is ULPSXDHVIUQPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-11(2)9-16(3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone has a molecular weight of 253.77 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone is sourced from PubChem (CID 43796175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).