5-chloro-2-methoxyaniline;hydron;chloride

C7H9Cl2NO — CID 164511506

IUPAC5-chloro-2-methoxyaniline;hydron;chloride
SMILESCOc1ccc(Cl)cc1N.[Cl-].[H+]
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
InChIKeyASEYMHNCCXSHIL-UHFFFAOYSA-N
MW194.06 g/mol
LogP-0.95
Rot. Bonds1

About 5-chloro-2-methoxyaniline;hydron;chloride

5-chloro-2-methoxyaniline;hydron;chloride (PubChem CID 164511506) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 5-chloro-2-methoxyaniline;hydron;chloride.

Molecular Properties

Compound Name5-chloro-2-methoxyaniline;hydron;chloride
PubChem CID164511506
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name5-chloro-2-methoxyaniline;hydron;chloride
SMILESCOc1ccc(Cl)cc1N.[Cl-].[H+]
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
InChIKeyASEYMHNCCXSHIL-UHFFFAOYSA-N
XLogP-0.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methoxyaniline;hydron;chloride with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-2-(trideuteriomethoxy)aniline
CID 87073671
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
CID 43518893
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxyaniline;hydron;chloride?
The IUPAC name of 5-chloro-2-methoxyaniline;hydron;chloride (CID 164511506) is 5-chloro-2-methoxyaniline;hydron;chloride.
What is the SMILES notation for 5-chloro-2-methoxyaniline;hydron;chloride?
The canonical SMILES for 5-chloro-2-methoxyaniline;hydron;chloride is COc1ccc(Cl)cc1N.[Cl-].[H+].
What is the InChIKey of 5-chloro-2-methoxyaniline;hydron;chloride?
The InChIKey is ASEYMHNCCXSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H.
What are the key properties of 5-chloro-2-methoxyaniline;hydron;chloride?
5-chloro-2-methoxyaniline;hydron;chloride has a molecular weight of 194.06 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxyaniline;hydron;chloride is sourced from PubChem (CID 164511506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).