N-(3-phenylpropa-1,2-dienyl)aniline

C15H13N — CID 176540019

IUPACN-(3-phenylpropa-1,2-dienyl)aniline
SMILESC(=CNc1ccccc1)=Cc1ccccc1
InChIInChI=1S/C15H13N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-13,16H
InChIKeyPJIQXLNJOJPHBE-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.92
Rot. Bonds3

About N-(3-phenylpropa-1,2-dienyl)aniline

N-(3-phenylpropa-1,2-dienyl)aniline (PubChem CID 176540019) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-phenylpropa-1,2-dienyl)aniline.

Molecular Properties

Compound NameN-(3-phenylpropa-1,2-dienyl)aniline
PubChem CID176540019
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC NameN-(3-phenylpropa-1,2-dienyl)aniline
SMILESC(=CNc1ccccc1)=Cc1ccccc1
InChIInChI=1S/C15H13N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-13,16H
InChIKeyPJIQXLNJOJPHBE-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-anilinoethenone
CID 22073424
3-phenylpropa-1,2-dienyl thiocyanate
CID 10821101
1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 10262404
1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 101460715
N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline
CID 176544530
CID 101448364
CID 101448364
benzene;bis(N-prop-1-enylaniline)
CID 70363490
sodium 3-phenylpropa-1,2-diene-1-sulfonate
CID 23666256
3-(benzenesulfinyl)propa-1,2-dienylbenzene
CID 71447124
2-anilinoethenol
CID 154058037
lithium;hydride;N-phenylformamide
CID 174281873
cesium;hydride;N-phenylformamide
CID 173414611

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropa-1,2-dienyl)aniline?
The IUPAC name of N-(3-phenylpropa-1,2-dienyl)aniline (CID 176540019) is N-(3-phenylpropa-1,2-dienyl)aniline.
What is the SMILES notation for N-(3-phenylpropa-1,2-dienyl)aniline?
The canonical SMILES for N-(3-phenylpropa-1,2-dienyl)aniline is C(=CNc1ccccc1)=Cc1ccccc1.
What is the InChIKey of N-(3-phenylpropa-1,2-dienyl)aniline?
The InChIKey is PJIQXLNJOJPHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-13,16H.
What are the key properties of N-(3-phenylpropa-1,2-dienyl)aniline?
N-(3-phenylpropa-1,2-dienyl)aniline has a molecular weight of 207.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropa-1,2-dienyl)aniline is sourced from PubChem (CID 176540019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).