2-amino-1-(2-chloro-5-methylphenyl)ethanone

C9H10ClNO — CID 83696787

IUPAC2-amino-1-(2-chloro-5-methylphenyl)ethanone
SMILESCc1ccc(Cl)c(C(=O)CN)c1
InChIInChI=1S/C9H10ClNO/c1-6-2-3-8(10)7(4-6)9(12)5-11/h2-4H,5,11H2,1H3
InChIKeyYCGUJYLNRUEWKE-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-1-(2-chloro-5-methylphenyl)ethanone

2-amino-1-(2-chloro-5-methylphenyl)ethanone (PubChem CID 83696787) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-chloro-5-methylphenyl)ethanone
PubChem CID83696787
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-amino-1-(2-chloro-5-methylphenyl)ethanone
SMILESCc1ccc(Cl)c(C(=O)CN)c1
InChIInChI=1S/C9H10ClNO/c1-6-2-3-8(10)7(4-6)9(12)5-11/h2-4H,5,11H2,1H3
InChIKeyYCGUJYLNRUEWKE-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-amino-1-[2-(dimethylamino)-5-methylphenyl]ethanone
CID 117283238
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
1-(2-chloro-4-methylphenyl)-3,3-dimethylbutan-1-one
CID 146009717
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-5-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-chloro-5-methylphenyl)ethanone (CID 83696787) is 2-amino-1-(2-chloro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-chloro-5-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-chloro-5-methylphenyl)ethanone is Cc1ccc(Cl)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(2-chloro-5-methylphenyl)ethanone?
The InChIKey is YCGUJYLNRUEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-2-3-8(10)7(4-6)9(12)5-11/h2-4H,5,11H2,1H3.
What are the key properties of 2-amino-1-(2-chloro-5-methylphenyl)ethanone?
2-amino-1-(2-chloro-5-methylphenyl)ethanone has a molecular weight of 183.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-5-methylphenyl)ethanone is sourced from PubChem (CID 83696787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).