4-(4-aminophenyl)-2,5-dichloroaniline

C12H10Cl2N2 — CID 154170226

IUPAC4-(4-aminophenyl)-2,5-dichloroaniline
SMILESNc1ccc(-c2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2
InChIKeyBWPANWDZOQWGGC-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.82
Rot. Bonds1

About 4-(4-aminophenyl)-2,5-dichloroaniline

4-(4-aminophenyl)-2,5-dichloroaniline (PubChem CID 154170226) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,5-dichloroaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,5-dichloroaniline
PubChem CID154170226
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4-(4-aminophenyl)-2,5-dichloroaniline
SMILESNc1ccc(-c2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2
InChIKeyBWPANWDZOQWGGC-UHFFFAOYSA-N
XLogP3.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.82
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)-5-chloro-2-iodoaniline
CID 151805171
4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine
CID 58387188
4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine
CID 159824858
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
3-chloro-4-(4-phenylphenyl)aniline
CID 107615840
2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
CID 171921721
2-(4-aminophenyl)-4,6-dichlorophenol
CID 39225052
2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
CID 107607819
4-(2,4,6-trichlorophenyl)aniline
CID 19980994
2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
CID 171921674

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,5-dichloroaniline?
The IUPAC name of 4-(4-aminophenyl)-2,5-dichloroaniline (CID 154170226) is 4-(4-aminophenyl)-2,5-dichloroaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,5-dichloroaniline?
The canonical SMILES for 4-(4-aminophenyl)-2,5-dichloroaniline is Nc1ccc(-c2cc(Cl)c(N)cc2Cl)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2,5-dichloroaniline?
The InChIKey is BWPANWDZOQWGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2.
What are the key properties of 4-(4-aminophenyl)-2,5-dichloroaniline?
4-(4-aminophenyl)-2,5-dichloroaniline has a molecular weight of 253.13 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,5-dichloroaniline is sourced from PubChem (CID 154170226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).