2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone

C10H12ClNO — CID 84774667

IUPAC2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)CN)c(C)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-6-4-9(11)7(2)3-8(6)10(13)5-12/h3-4H,5,12H2,1-2H3
InChIKeyHENMWNUTYAYIFC-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.10
Rot. Bonds2

About 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone

2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone (PubChem CID 84774667) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
PubChem CID84774667
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)CN)c(C)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-6-4-9(11)7(2)3-8(6)10(13)5-12/h3-4H,5,12H2,1-2H3
InChIKeyHENMWNUTYAYIFC-UHFFFAOYSA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
5-chloro-2,4-dimethylbenzamide
CID 82551019
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
1-[2,5-dimethyl-4-(3-oxobutanoyl)phenyl]butane-1,3-dione
CID 144612381
2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
CID 117316656
2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone
CID 117299466
(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476290

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone (CID 84774667) is 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone is Cc1cc(C(=O)CN)c(C)cc1Cl.
What is the InChIKey of 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone?
The InChIKey is HENMWNUTYAYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-4-9(11)7(2)3-8(6)10(13)5-12/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone?
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone has a molecular weight of 197.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 84774667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).