2-[3-(2-aminophenyl)phenyl]aniline

C18H16N2 — CID 69336555

IUPAC2-[3-(2-aminophenyl)phenyl]aniline
SMILESNc1ccccc1-c1cccc(-c2ccccc2N)c1
InChIInChI=1S/C18H16N2/c19-17-10-3-1-8-15(17)13-6-5-7-14(12-13)16-9-2-4-11-18(16)20/h1-12H,19-20H2
InChIKeyQDUOMTVWJAGXEJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.18
Rot. Bonds2

About 2-[3-(2-aminophenyl)phenyl]aniline

2-[3-(2-aminophenyl)phenyl]aniline (PubChem CID 69336555) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-(2-aminophenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[3-(2-aminophenyl)phenyl]aniline
PubChem CID69336555
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-[3-(2-aminophenyl)phenyl]aniline
SMILESNc1ccccc1-c1cccc(-c2ccccc2N)c1
InChIInChI=1S/C18H16N2/c19-17-10-3-1-8-15(17)13-6-5-7-14(12-13)16-9-2-4-11-18(16)20/h1-12H,19-20H2
InChIKeyQDUOMTVWJAGXEJ-UHFFFAOYSA-N
XLogP4.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.18
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

2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
2-(3-ethoxyphenyl)aniline
CID 57482711
5-(2-aminophenyl)-2-methylaniline
CID 68793709
5-(2-aminophenyl)-2-bromoaniline
CID 102241446
4-(2-aminophenyl)cyclohepta-2,4,6-trien-1-one
CID 174581476
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
CID 121301752

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminophenyl)phenyl]aniline?
The IUPAC name of 2-[3-(2-aminophenyl)phenyl]aniline (CID 69336555) is 2-[3-(2-aminophenyl)phenyl]aniline.
What is the SMILES notation for 2-[3-(2-aminophenyl)phenyl]aniline?
The canonical SMILES for 2-[3-(2-aminophenyl)phenyl]aniline is Nc1ccccc1-c1cccc(-c2ccccc2N)c1.
What is the InChIKey of 2-[3-(2-aminophenyl)phenyl]aniline?
The InChIKey is QDUOMTVWJAGXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-17-10-3-1-8-15(17)13-6-5-7-14(12-13)16-9-2-4-11-18(16)20/h1-12H,19-20H2.
What are the key properties of 2-[3-(2-aminophenyl)phenyl]aniline?
2-[3-(2-aminophenyl)phenyl]aniline has a molecular weight of 260.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminophenyl)phenyl]aniline is sourced from PubChem (CID 69336555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).