1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone

C12H16ClNO2 — CID 84702868

IUPAC1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)cc(OC)c(Cl)c1C
InChIInChI=1S/C12H16ClNO2/c1-7-5-10(16-4)12(13)8(2)11(7)9(15)6-14-3/h5,14H,6H2,1-4H3
InChIKeyFZDCXSZNMJIDDR-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone

1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone (PubChem CID 84702868) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
PubChem CID84702868
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)cc(OC)c(Cl)c1C
InChIInChI=1S/C12H16ClNO2/c1-7-5-10(16-4)12(13)8(2)11(7)9(15)6-14-3/h5,14H,6H2,1-4H3
InChIKeyFZDCXSZNMJIDDR-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
1-(4-methoxy-2,3,6-trimethylphenyl)-2-sulfanylethanone
CID 116829931
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
CID 84680628
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
methyl 4-(4-methoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552645
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone (CID 84702868) is 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)cc(OC)c(Cl)c1C.
What is the InChIKey of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is FZDCXSZNMJIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7-5-10(16-4)12(13)8(2)11(7)9(15)6-14-3/h5,14H,6H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone?
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone has a molecular weight of 241.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84702868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).