4-(4-aminophenyl)-3-chloro-5-methylaniline

C13H13ClN2 — CID 150398690

IUPAC4-(4-aminophenyl)-3-chloro-5-methylaniline
SMILESCc1cc(N)cc(Cl)c1-c1ccc(N)cc1
InChIInChI=1S/C13H13ClN2/c1-8-6-11(16)7-12(14)13(8)9-2-4-10(15)5-3-9/h2-7H,15-16H2,1H3
InChIKeyHDHHSKBGWYQGOQ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.48
Rot. Bonds1

About 4-(4-aminophenyl)-3-chloro-5-methylaniline

4-(4-aminophenyl)-3-chloro-5-methylaniline (PubChem CID 150398690) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-chloro-5-methylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-chloro-5-methylaniline
PubChem CID150398690
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name4-(4-aminophenyl)-3-chloro-5-methylaniline
SMILESCc1cc(N)cc(Cl)c1-c1ccc(N)cc1
InChIInChI=1S/C13H13ClN2/c1-8-6-11(16)7-12(14)13(8)9-2-4-10(15)5-3-9/h2-7H,15-16H2,1H3
InChIKeyHDHHSKBGWYQGOQ-UHFFFAOYSA-N
XLogP3.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
CID 172846418
4-(2,4,6-trichlorophenyl)aniline
CID 19980994
3,5-dichloro-4-(4-fluorophenyl)aniline
CID 89422733
4-(2,3,5,6-tetramethylphenyl)aniline
CID 54912488
4-(2,3,6-trimethylphenyl)aniline
CID 170384539
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
methane;1,3,5-trimethyl-2-(4-nitrophenyl)benzene;4-(2,4,6-trimethylphenyl)aniline;hydrochloride
CID 159571615
3,4-dichloroaniline;1,2-xylene
CID 174872012
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid
CID 157485296
2-(4-aminophenyl)-3-methylbenzenethiol
CID 174495276
4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate
CID 175596524

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-chloro-5-methylaniline?
The IUPAC name of 4-(4-aminophenyl)-3-chloro-5-methylaniline (CID 150398690) is 4-(4-aminophenyl)-3-chloro-5-methylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-3-chloro-5-methylaniline?
The canonical SMILES for 4-(4-aminophenyl)-3-chloro-5-methylaniline is Cc1cc(N)cc(Cl)c1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-chloro-5-methylaniline?
The InChIKey is HDHHSKBGWYQGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-8-6-11(16)7-12(14)13(8)9-2-4-10(15)5-3-9/h2-7H,15-16H2,1H3.
What are the key properties of 4-(4-aminophenyl)-3-chloro-5-methylaniline?
4-(4-aminophenyl)-3-chloro-5-methylaniline has a molecular weight of 232.71 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-chloro-5-methylaniline is sourced from PubChem (CID 150398690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).