4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline

C15H16N2 — CID 50899470

IUPAC4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline
SMILES[11CH3]Nc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11,17H,16H2,1H3/b3-2+/i1-1
InChIKeyLSXVZFZGGWPTSL-CKRIYKSPSA-N
MW223.31 g/mol
LogP3.48
Rot. Bonds3

About 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline

4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline (PubChem CID 50899470) has the molecular formula C15H16N2 and a molecular weight of 223.31 g/mol. Its IUPAC name is 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline
PubChem CID50899470
Molecular FormulaC15H16N2
Molecular Weight223.31 g/mol
Exact Mass223.14
IUPAC Name4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline
SMILES[11CH3]Nc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11,17H,16H2,1H3/b3-2+/i1-1
InChIKeyLSXVZFZGGWPTSL-CKRIYKSPSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Desipramine
CID 2995
4,4-Diaminodiphenylmethane
CID 7577
Dimethyl-p-toluidine
CID 7471
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Leucocrystal Violet
CID 69048
Dibenz(b,f)azepine
CID 9212
Solvent Yellow 34
CID 10298
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
CID 5934
C.I. Basic Yellow 2
CID 17170
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline (CID 50899470) is 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline is [11CH3]Nc1ccc(/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline?
The InChIKey is LSXVZFZGGWPTSL-CKRIYKSPSA-N. The full InChI is InChI=1S/C15H16N2/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11,17H,16H2,1H3/b3-2+/i1-1.
What are the key properties of 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline?
4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline has a molecular weight of 223.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-((111C)methylamino)phenyl]ethenyl]aniline is sourced from PubChem (CID 50899470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).