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

C14H20ClNO — CID 61428684

IUPAC1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11(2)7-8-16(3)10-14(17)12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyIXTZAEFGGMSBOV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.50
Rot. Bonds6

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

1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone (PubChem CID 61428684) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
PubChem CID61428684
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11(2)7-8-16(3)10-14(17)12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyIXTZAEFGGMSBOV-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(2-methylbutyl)amino]ethanone
CID 43796175
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
CID 62631217
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429193
1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62029774
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone (CID 61428684) is 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone is CC(C)CCN(C)CC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
The InChIKey is IXTZAEFGGMSBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(2)7-8-16(3)10-14(17)12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
1-(3-chlorophenyl)-2-[methyl(3-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(3-methylbutyl)amino]ethanone is sourced from PubChem (CID 61428684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).