2-ethenyl-6-phenylaniline

C14H13N — CID 162513361

IUPAC2-ethenyl-6-phenylaniline
SMILESC=Cc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C14H13N/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12/h2-10H,1,15H2
InChIKeyGRGVGXNUMVUCTD-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.58
Rot. Bonds2

About 2-ethenyl-6-phenylaniline

2-ethenyl-6-phenylaniline (PubChem CID 162513361) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-ethenyl-6-phenylaniline.

Molecular Properties

Compound Name2-ethenyl-6-phenylaniline
PubChem CID162513361
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name2-ethenyl-6-phenylaniline
SMILESC=Cc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C14H13N/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12/h2-10H,1,15H2
InChIKeyGRGVGXNUMVUCTD-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.58
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

3-phenylbenzene-1,2-diamine
CID 18968019
2-phenyl-6-phosphanylaniline
CID 149253059
6-ethenyl-3-fluoro-2-phenylaniline
CID 162513364
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
(2-ethenyl-6-phenylphenyl)methyl formate
CID 174757739
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
3-(2-ethenylphenyl)-N,N-diphenylaniline
CID 91124451
3-phenylbenzene-1,2-diamine;propane
CID 70378466
1-buta-1,3-dienyl-2-phenylbenzene
CID 54164854
1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
CID 141477153
1,2-bis(ethenyl)benzene;platinum
CID 175428021
CID 67878092
CID 67878092

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-phenylaniline?
The IUPAC name of 2-ethenyl-6-phenylaniline (CID 162513361) is 2-ethenyl-6-phenylaniline.
What is the SMILES notation for 2-ethenyl-6-phenylaniline?
The canonical SMILES for 2-ethenyl-6-phenylaniline is C=Cc1cccc(-c2ccccc2)c1N.
What is the InChIKey of 2-ethenyl-6-phenylaniline?
The InChIKey is GRGVGXNUMVUCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12/h2-10H,1,15H2.
What are the key properties of 2-ethenyl-6-phenylaniline?
2-ethenyl-6-phenylaniline has a molecular weight of 195.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-phenylaniline is sourced from PubChem (CID 162513361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).