1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone

C11H14ClNO2 — CID 84791733

IUPAC1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(Cl)c(OC)c1
InChIInChI=1S/C11H14ClNO2/c1-7-4-8(9(14)6-13-2)5-10(15-3)11(7)12/h4-5,13H,6H2,1-3H3
InChIKeyLKASANYSUZNZNU-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.06
Rot. Bonds4

About 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone

1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone (PubChem CID 84791733) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
PubChem CID84791733
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(Cl)c(OC)c1
InChIInChI=1S/C11H14ClNO2/c1-7-4-8(9(14)6-13-2)5-10(15-3)11(7)12/h4-5,13H,6H2,1-3H3
InChIKeyLKASANYSUZNZNU-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818
1-[3-methoxy-5-methyl-4-(methylamino)phenyl]propan-1-one
CID 129231374
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117108284
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
CID 84680628
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone (CID 84791733) is 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C)c(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is LKASANYSUZNZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-4-8(9(14)6-13-2)5-10(15-3)11(7)12/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone?
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 227.69 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84791733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).