[4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine

C24H21N — CID 174907738

IUPAC[4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine
SMILESNCc1ccc(C2=Cc3ccccc3/C(=C/c3ccccc3)C2)cc1
InChIInChI=1S/C24H21N/c25-17-19-10-12-20(13-11-19)22-15-21-8-4-5-9-24(21)23(16-22)14-18-6-2-1-3-7-18/h1-15H,16-17,25H2/b23-14+
InChIKeyUEXIEVLRQACAQO-OEAKJJBVSA-N
MW323.44 g/mol
LogP5.63
Rot. Bonds3

About [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine

[4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine (PubChem CID 174907738) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine
PubChem CID174907738
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name[4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine
SMILESNCc1ccc(C2=Cc3ccccc3/C(=C/c3ccccc3)C2)cc1
InChIInChI=1S/C24H21N/c25-17-19-10-12-20(13-11-19)22-15-21-8-4-5-9-24(21)23(16-22)14-18-6-2-1-3-7-18/h1-15H,16-17,25H2/b23-14+
InChIKeyUEXIEVLRQACAQO-OEAKJJBVSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine?
The IUPAC name of [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine (CID 174907738) is [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine is NCc1ccc(C2=Cc3ccccc3/C(=C/c3ccccc3)C2)cc1.
What is the InChIKey of [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine?
The InChIKey is UEXIEVLRQACAQO-OEAKJJBVSA-N. The full InChI is InChI=1S/C24H21N/c25-17-19-10-12-20(13-11-19)22-15-21-8-4-5-9-24(21)23(16-22)14-18-6-2-1-3-7-18/h1-15H,16-17,25H2/b23-14+.
What are the key properties of [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine?
[4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine has a molecular weight of 323.44 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4E)-4-benzylidene-3H-naphthalen-2-yl]phenyl]methanamine is sourced from PubChem (CID 174907738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).