3-(3-phenylbenzenecarboximidoyl)aniline

C19H16N2 — CID 145441675

IUPAC3-(3-phenylbenzenecarboximidoyl)aniline
SMILES[H]/N=C(\c1cccc(N)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H16N2/c20-18-11-5-10-17(13-18)19(21)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,21H,20H2/b21-19-
InChIKeyYJRUBIVONAHGBG-VZCXRCSSSA-N
MW272.35 g/mol
LogP4.35
Rot. Bonds3

About 3-(3-phenylbenzenecarboximidoyl)aniline

3-(3-phenylbenzenecarboximidoyl)aniline (PubChem CID 145441675) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-phenylbenzenecarboximidoyl)aniline.

Molecular Properties

Compound Name3-(3-phenylbenzenecarboximidoyl)aniline
PubChem CID145441675
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name3-(3-phenylbenzenecarboximidoyl)aniline
SMILES[H]/N=C(\c1cccc(N)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H16N2/c20-18-11-5-10-17(13-18)19(21)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,21H,20H2/b21-19-
InChIKeyYJRUBIVONAHGBG-VZCXRCSSSA-N
XLogP4.35
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylbenzenecarboximidoyl)aniline?
The IUPAC name of 3-(3-phenylbenzenecarboximidoyl)aniline (CID 145441675) is 3-(3-phenylbenzenecarboximidoyl)aniline.
What is the SMILES notation for 3-(3-phenylbenzenecarboximidoyl)aniline?
The canonical SMILES for 3-(3-phenylbenzenecarboximidoyl)aniline is [H]/N=C(\c1cccc(N)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-(3-phenylbenzenecarboximidoyl)aniline?
The InChIKey is YJRUBIVONAHGBG-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H16N2/c20-18-11-5-10-17(13-18)19(21)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,21H,20H2/b21-19-.
What are the key properties of 3-(3-phenylbenzenecarboximidoyl)aniline?
3-(3-phenylbenzenecarboximidoyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylbenzenecarboximidoyl)aniline is sourced from PubChem (CID 145441675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).