2-(4-aminophenyl)-2-methylpropanoyl chloride

C10H12ClNO — CID 117047669

IUPAC2-(4-aminophenyl)-2-methylpropanoyl chloride
SMILESCC(C)(C(=O)Cl)c1ccc(N)cc1
InChIInChI=1S/C10H12ClNO/c1-10(2,9(11)13)7-3-5-8(12)6-4-7/h3-6H,12H2,1-2H3
InChIKeyZTGXERGCYUMHJM-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.31
Rot. Bonds2

About 2-(4-aminophenyl)-2-methylpropanoyl chloride

2-(4-aminophenyl)-2-methylpropanoyl chloride (PubChem CID 117047669) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methylpropanoyl chloride
PubChem CID117047669
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-(4-aminophenyl)-2-methylpropanoyl chloride
SMILESCC(C)(C(=O)Cl)c1ccc(N)cc1
InChIInChI=1S/C10H12ClNO/c1-10(2,9(11)13)7-3-5-8(12)6-4-7/h3-6H,12H2,1-2H3
InChIKeyZTGXERGCYUMHJM-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Aminophenyl)acetamide
CID 238034
2-(4-Aminophenyl)-2-phenylpropanimidic acid
CID 3046176
4-(4-Aminophenyl)-4-ethylcyclohexane-1,3-dione
CID 52948993
Butyramide, 2-(p-aminophenyl)-2-phenyl-, hydrochloride
CID 43723
4-Pentenamide, 2-allyl-2-(p-aminophenyl)-
CID 202086
2-(4-Amino-3-chlorophenyl)-2-phenylpropanimidic acid
CID 3046174
3-(4-Aminophenyl)butanamide
CID 50995846
2-(4-Aminophenyl)-2-methylpropanamide
CID 53621911
3,3-Bis(4-aminophenyl)-2-butanone
CID 17591
Benzoyl chloride, 4-amino-
CID 177720
2-(4-Aminophenyl)cyclopentan-1-one hydrochloride
CID 165896819
4-Aminophenylacetone
CID 11788379

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methylpropanoyl chloride?
The IUPAC name of 2-(4-aminophenyl)-2-methylpropanoyl chloride (CID 117047669) is 2-(4-aminophenyl)-2-methylpropanoyl chloride.
What is the SMILES notation for 2-(4-aminophenyl)-2-methylpropanoyl chloride?
The canonical SMILES for 2-(4-aminophenyl)-2-methylpropanoyl chloride is CC(C)(C(=O)Cl)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methylpropanoyl chloride?
The InChIKey is ZTGXERGCYUMHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-10(2,9(11)13)7-3-5-8(12)6-4-7/h3-6H,12H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-2-methylpropanoyl chloride?
2-(4-aminophenyl)-2-methylpropanoyl chloride has a molecular weight of 197.67 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methylpropanoyl chloride is sourced from PubChem (CID 117047669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).