2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride

C19H25Cl3N2O3 — CID 161188136

IUPAC2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCOc1cccc(N)c1Cl.COc1cccc(NC(=O)C(C)(C)C)c1Cl.Cl
InChIInChI=1S/C12H16ClNO2.C7H8ClNO.ClH/c1-12(2,3)11(15)14-8-6-5-7-9(16-4)10(8)13;1-10-6-4-2-3-5(9)7(6)8;/h5-7H,1-4H3,(H,14,15);2-4H,9H2,1H3;1H
InChIKeyHMKGKWAEJQPYMZ-UHFFFAOYSA-N
MW435.78 g/mol
LogP5.69
Rot. Bonds3

About 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride

2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 161188136) has the molecular formula C19H25Cl3N2O3 and a molecular weight of 435.78 g/mol. Its IUPAC name is 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID161188136
Molecular FormulaC19H25Cl3N2O3
Molecular Weight435.78 g/mol
Exact Mass434.09
IUPAC Name2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCOc1cccc(N)c1Cl.COc1cccc(NC(=O)C(C)(C)C)c1Cl.Cl
InChIInChI=1S/C12H16ClNO2.C7H8ClNO.ClH/c1-12(2,3)11(15)14-8-6-5-7-9(16-4)10(8)13;1-10-6-4-2-3-5(9)7(6)8;/h5-7H,1-4H3,(H,14,15);2-4H,9H2,1H3;1H
InChIKeyHMKGKWAEJQPYMZ-UHFFFAOYSA-N
XLogP5.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.78
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride (CID 161188136) is 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride is COc1cccc(N)c1Cl.COc1cccc(NC(=O)C(C)(C)C)c1Cl.Cl.
What is the InChIKey of 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is HMKGKWAEJQPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2.C7H8ClNO.ClH/c1-12(2,3)11(15)14-8-6-5-7-9(16-4)10(8)13;1-10-6-4-2-3-5(9)7(6)8;/h5-7H,1-4H3,(H,14,15);2-4H,9H2,1H3;1H.
What are the key properties of 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 435.78 g/mol, XLogP of 5.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxyaniline;N-(2-chloro-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 161188136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).