1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine

C16H16N2 — CID 110839665

IUPAC1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine
SMILESC(/C=C/c1ccccc1)=NNCc1ccccc1
InChIInChI=1S/C16H16N2/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-13,18H,14H2/b12-7+,17-13?
InChIKeyPWLFZEMFOJJGMW-RMPAWCBFSA-N
MW236.32 g/mol
LogP3.48
Rot. Bonds5

About 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine

1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine (PubChem CID 110839665) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine
PubChem CID110839665
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine
SMILESC(/C=C/c1ccccc1)=NNCc1ccccc1
InChIInChI=1S/C16H16N2/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-13,18H,14H2/b12-7+,17-13?
InChIKeyPWLFZEMFOJJGMW-RMPAWCBFSA-N
XLogP3.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4,5,6-pentamethylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanamine
CID 134103725
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
1,3-bis(cinnamylideneamino)urea
CID 2823909
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
CID 6894212
3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750
N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
1-[(4-methoxyphenyl)methyl]-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 9176276
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]-1-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phthalazine-1,4-diamine
CID 92534193

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine?
The IUPAC name of 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine (CID 110839665) is 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine.
What is the SMILES notation for 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine?
The canonical SMILES for 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine is C(/C=C/c1ccccc1)=NNCc1ccccc1.
What is the InChIKey of 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine?
The InChIKey is PWLFZEMFOJJGMW-RMPAWCBFSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-13,18H,14H2/b12-7+,17-13?.
What are the key properties of 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine?
1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine has a molecular weight of 236.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine is sourced from PubChem (CID 110839665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).