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

C10H12ClNO2 — CID 83835408

IUPAC2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
SMILESCOc1c(C)cc(C(=O)CN)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-3-7(9(13)5-12)4-8(11)10(6)14-2/h3-4H,5,12H2,1-2H3
InChIKeyCBUZDYSIUWQQSI-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.80
Rot. Bonds3

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

2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone (PubChem CID 83835408) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
PubChem CID83835408
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
SMILESCOc1c(C)cc(C(=O)CN)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-3-7(9(13)5-12)4-8(11)10(6)14-2/h3-4H,5,12H2,1-2H3
InChIKeyCBUZDYSIUWQQSI-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-amino-1-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanone
CID 117427475
1-(4-methoxy-3,5-dimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830914
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
CID 84693050
2-amino-1-(3,5-dichloro-4-fluorophenyl)ethanone;hydrochloride
CID 122235372
1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
methyl 5-(2-aminoacetyl)-2,3-dimethylbenzoate
CID 117315602
5-(3,5-dichloro-4-methoxyphenyl)-5-oxopentanoic acid
CID 19348271

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone (CID 83835408) is 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone is COc1c(C)cc(C(=O)CN)cc1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone?
The InChIKey is CBUZDYSIUWQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-3-7(9(13)5-12)4-8(11)10(6)14-2/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone?
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone has a molecular weight of 213.66 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 83835408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).