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

C9H10ClNO — CID 65179796

IUPAC2-amino-1-(3-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)cc1Cl
InChIInChI=1S/C9H10ClNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4H,5,11H2,1H3
InChIKeySOHZHGAJZVDSEB-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.79
Rot. Bonds2

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

2-amino-1-(3-chloro-4-methylphenyl)ethanone (PubChem CID 65179796) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-methylphenyl)ethanone
PubChem CID65179796
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-amino-1-(3-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN)cc1Cl
InChIInChI=1S/C9H10ClNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4H,5,11H2,1H3
InChIKeySOHZHGAJZVDSEB-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

3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
7-amino-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561224
[2-(3-chloro-4-methylphenyl)-2-oxoethyl] acetate
CID 146005834
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
3-chloro-4-methylbenzamide;ethane
CID 162191867
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-amino-1-(3-chloro-4-methylsulfonylphenyl)ethanone
CID 84706314
4-bromo-1-(3-chloro-4-methylphenyl)butan-1-one
CID 146005835
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
4-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561314
ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
CID 24722247

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-4-methylphenyl)ethanone (CID 65179796) is 2-amino-1-(3-chloro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CN)cc1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-4-methylphenyl)ethanone?
The InChIKey is SOHZHGAJZVDSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-4-methylphenyl)ethanone?
2-amino-1-(3-chloro-4-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-(3-chloro-4-methylphenyl)ethanone is sourced from PubChem (CID 65179796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).