2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide

C11H15ClN2O — CID 130276926

IUPAC2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide
SMILESCc1cc(CC(=O)N(C)C)c(Cl)cc1N
InChIInChI=1S/C11H15ClN2O/c1-7-4-8(5-11(15)14(2)3)9(12)6-10(7)13/h4,6H,5,13H2,1-3H3
InChIKeyHPRYWFOQDAJLAN-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.86
Rot. Bonds2

About 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide

2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide (PubChem CID 130276926) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide
PubChem CID130276926
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide
SMILESCc1cc(CC(=O)N(C)C)c(Cl)cc1N
InChIInChI=1S/C11H15ClN2O/c1-7-4-8(5-11(15)14(2)3)9(12)6-10(7)13/h4,6H,5,13H2,1-3H3
InChIKeyHPRYWFOQDAJLAN-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide
CID 130276365
4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline
CID 14178169
methyl (2S)-2-amino-3-(4-amino-2-chloro-5-methylphenyl)propanoate
CID 171238553
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
2-(4-amino-2-chloro-5-methylphenyl)acetonitrile
CID 131368499
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
CID 121417177
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130275786
2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
CID 81182333
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide (CID 130276926) is 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide is Cc1cc(CC(=O)N(C)C)c(Cl)cc1N.
What is the InChIKey of 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide?
The InChIKey is HPRYWFOQDAJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-4-8(5-11(15)14(2)3)9(12)6-10(7)13/h4,6H,5,13H2,1-3H3.
What are the key properties of 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide?
2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide has a molecular weight of 226.71 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 130276926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).