[3-(benzyliminomethyl)phenyl]methanamine

C15H16N2 — CID 130181633

IUPAC[3-(benzyliminomethyl)phenyl]methanamine
SMILESNCc1cccc(/C=N/Cc2ccccc2)c1
InChIInChI=1S/C15H16N2/c16-10-14-7-4-8-15(9-14)12-17-11-13-5-2-1-3-6-13/h1-9,12H,10-11,16H2/b17-12+
InChIKeyHXUDFOGJNOPAQC-SFQUDFHCSA-N
MW224.31 g/mol
LogP2.76
Rot. Bonds4

About [3-(benzyliminomethyl)phenyl]methanamine

[3-(benzyliminomethyl)phenyl]methanamine (PubChem CID 130181633) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is [3-(benzyliminomethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(benzyliminomethyl)phenyl]methanamine
PubChem CID130181633
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name[3-(benzyliminomethyl)phenyl]methanamine
SMILESNCc1cccc(/C=N/Cc2ccccc2)c1
InChIInChI=1S/C15H16N2/c16-10-14-7-4-8-15(9-14)12-17-11-13-5-2-1-3-6-13/h1-9,12H,10-11,16H2/b17-12+
InChIKeyHXUDFOGJNOPAQC-SFQUDFHCSA-N
XLogP2.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(benzyliminomethyl)phenyl]methanamine?
The IUPAC name of [3-(benzyliminomethyl)phenyl]methanamine (CID 130181633) is [3-(benzyliminomethyl)phenyl]methanamine.
What is the SMILES notation for [3-(benzyliminomethyl)phenyl]methanamine?
The canonical SMILES for [3-(benzyliminomethyl)phenyl]methanamine is NCc1cccc(/C=N/Cc2ccccc2)c1.
What is the InChIKey of [3-(benzyliminomethyl)phenyl]methanamine?
The InChIKey is HXUDFOGJNOPAQC-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H16N2/c16-10-14-7-4-8-15(9-14)12-17-11-13-5-2-1-3-6-13/h1-9,12H,10-11,16H2/b17-12+.
What are the key properties of [3-(benzyliminomethyl)phenyl]methanamine?
[3-(benzyliminomethyl)phenyl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzyliminomethyl)phenyl]methanamine is sourced from PubChem (CID 130181633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).