3-chloro-4-(4-phenylphenyl)aniline

C18H14ClN — CID 107615840

IUPAC3-chloro-4-(4-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C18H14ClN/c19-18-12-16(20)10-11-17(18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyLENKYRHXYLTXCM-UHFFFAOYSA-N
MW279.77 g/mol
LogP5.26
Rot. Bonds2

About 3-chloro-4-(4-phenylphenyl)aniline

3-chloro-4-(4-phenylphenyl)aniline (PubChem CID 107615840) has the molecular formula C18H14ClN and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-chloro-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-chloro-4-(4-phenylphenyl)aniline
PubChem CID107615840
Molecular FormulaC18H14ClN
Molecular Weight279.77 g/mol
Exact Mass279.08
IUPAC Name3-chloro-4-(4-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C18H14ClN/c19-18-12-16(20)10-11-17(18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyLENKYRHXYLTXCM-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.77
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(4-phenylphenyl)aniline 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

3-chloro-4-phenylaniline;hydrochloride
CID 91622859
4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine
CID 58387188
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 150238905
3-chloro-4-[4-(4-methylsulfonylphenyl)phenyl]aniline
CID 118623053
3-(4-bromophenyl)-4-phenylaniline
CID 142474025
4-(4-amino-2-chlorophenyl)benzenesulfonamide
CID 110453859
2-[4-(4-amino-2-chlorophenyl)phenyl]acetic acid
CID 82039332
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
23-chloroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 102127640
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
CID 176866089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-phenylphenyl)aniline?
The IUPAC name of 3-chloro-4-(4-phenylphenyl)aniline (CID 107615840) is 3-chloro-4-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-chloro-4-(4-phenylphenyl)aniline?
The canonical SMILES for 3-chloro-4-(4-phenylphenyl)aniline is Nc1ccc(-c2ccc(-c3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-phenylphenyl)aniline?
The InChIKey is LENKYRHXYLTXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN/c19-18-12-16(20)10-11-17(18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2.
What are the key properties of 3-chloro-4-(4-phenylphenyl)aniline?
3-chloro-4-(4-phenylphenyl)aniline has a molecular weight of 279.77 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 107615840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).