1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone

C10H12ClNO2 — CID 70285532

IUPAC1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
SMILESCNc1c(C(C)=O)ccc(OC)c1Cl
InChIInChI=1S/C10H12ClNO2/c1-6(13)7-4-5-8(14-3)9(11)10(7)12-2/h4-5,12H,1-3H3
InChIKeyZOMJJFOATLUXSE-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.59
Rot. Bonds3

About 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone

1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone (PubChem CID 70285532) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
PubChem CID70285532
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
SMILESCNc1c(C(C)=O)ccc(OC)c1Cl
InChIInChI=1S/C10H12ClNO2/c1-6(13)7-4-5-8(14-3)9(11)10(7)12-2/h4-5,12H,1-3H3
InChIKeyZOMJJFOATLUXSE-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 56605150
1-[2-(chloroamino)-3-methoxyphenyl]ethanone
CID 174727261
1-[2-chloro-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 118999965
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
CID 151811277
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone (CID 70285532) is 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone is CNc1c(C(C)=O)ccc(OC)c1Cl.
What is the InChIKey of 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone?
The InChIKey is ZOMJJFOATLUXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6(13)7-4-5-8(14-3)9(11)10(7)12-2/h4-5,12H,1-3H3.
What are the key properties of 1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone?
1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone has a molecular weight of 213.66 g/mol, XLogP of 2.59, 3 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-(methylamino)phenyl]ethanone is sourced from PubChem (CID 70285532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).