2-[4-(4-methylphenyl)phenyl]aniline

C19H17N — CID 154563208

IUPAC2-[4-(4-methylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccccc3N)cc2)cc1
InChIInChI=1S/C19H17N/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2-3-5-19(18)20/h2-13H,20H2,1H3
InChIKeyICSAEJQWZPCABN-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.91
Rot. Bonds2

About 2-[4-(4-methylphenyl)phenyl]aniline

2-[4-(4-methylphenyl)phenyl]aniline (PubChem CID 154563208) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)phenyl]aniline
PubChem CID154563208
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name2-[4-(4-methylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccccc3N)cc2)cc1
InChIInChI=1S/C19H17N/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2-3-5-19(18)20/h2-13H,20H2,1H3
InChIKeyICSAEJQWZPCABN-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
5-(2-aminophenyl)-2-methylaniline
CID 68793709
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
CID 161385819
S-[2-(4-methylphenyl)phenyl]thiohydroxylamine
CID 142050886
O-[4-(2-aminophenyl)phenyl]hydroxylamine
CID 118184220
2-(4-methyl-2,6-diphenylphenyl)aniline
CID 102107876
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
CID 10682079
2-(4-ethylsulfanylphenyl)aniline
CID 68786818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)phenyl]aniline?
The IUPAC name of 2-[4-(4-methylphenyl)phenyl]aniline (CID 154563208) is 2-[4-(4-methylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[4-(4-methylphenyl)phenyl]aniline?
The canonical SMILES for 2-[4-(4-methylphenyl)phenyl]aniline is Cc1ccc(-c2ccc(-c3ccccc3N)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)phenyl]aniline?
The InChIKey is ICSAEJQWZPCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2-3-5-19(18)20/h2-13H,20H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)phenyl]aniline?
2-[4-(4-methylphenyl)phenyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)phenyl]aniline is sourced from PubChem (CID 154563208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).