4-(3-chlorophenyl)-2-methoxyaniline

C13H12ClNO — CID 164513717

IUPAC4-(3-chlorophenyl)-2-methoxyaniline
SMILESCOc1cc(-c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C13H12ClNO/c1-16-13-8-10(5-6-12(13)15)9-3-2-4-11(14)7-9/h2-8H,15H2,1H3
InChIKeyZQNYRVGOIVQEIH-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.60
Rot. Bonds2

About 4-(3-chlorophenyl)-2-methoxyaniline

4-(3-chlorophenyl)-2-methoxyaniline (PubChem CID 164513717) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methoxyaniline
PubChem CID164513717
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-(3-chlorophenyl)-2-methoxyaniline
SMILESCOc1cc(-c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C13H12ClNO/c1-16-13-8-10(5-6-12(13)15)9-3-2-4-11(14)7-9/h2-8H,15H2,1H3
InChIKeyZQNYRVGOIVQEIH-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.60
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

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene
CID 146034914
4-(2,3-dichlorophenyl)-2-methoxyaniline
CID 164513718
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene
CID 123222011
4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium
CID 58689931
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
CID 175609219
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-methoxyaniline?
The IUPAC name of 4-(3-chlorophenyl)-2-methoxyaniline (CID 164513717) is 4-(3-chlorophenyl)-2-methoxyaniline.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methoxyaniline?
The canonical SMILES for 4-(3-chlorophenyl)-2-methoxyaniline is COc1cc(-c2cccc(Cl)c2)ccc1N.
What is the InChIKey of 4-(3-chlorophenyl)-2-methoxyaniline?
The InChIKey is ZQNYRVGOIVQEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-16-13-8-10(5-6-12(13)15)9-3-2-4-11(14)7-9/h2-8H,15H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-methoxyaniline?
4-(3-chlorophenyl)-2-methoxyaniline has a molecular weight of 233.70 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methoxyaniline is sourced from PubChem (CID 164513717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).