N-benzyl-1-phenylpropan-1-imine

C16H17N — CID 11492288

IUPACN-benzyl-1-phenylpropan-1-imine
SMILESCC/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b17-16+
InChIKeyGESHUCUZCCXJJF-WUKNDPDISA-N
MW223.32 g/mol
LogP4.09
Rot. Bonds4

About N-benzyl-1-phenylpropan-1-imine

N-benzyl-1-phenylpropan-1-imine (PubChem CID 11492288) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-benzyl-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-benzyl-1-phenylpropan-1-imine
PubChem CID11492288
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-benzyl-1-phenylpropan-1-imine
SMILESCC/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b17-16+
InChIKeyGESHUCUZCCXJJF-WUKNDPDISA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 32719
Hydrobenzamide
CID 9566477
N-Benzylidenebenzylamine
CID 95831
1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 10376837
N-benzylidene-2-phenylethanamine
CID 576350
1-Pyrroline, 3,3-diphenyl-2-ethyl-
CID 104403
1-Methyl-3,4-dihydroisoquinoline
CID 231502
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylpropan-1-imine?
The IUPAC name of N-benzyl-1-phenylpropan-1-imine (CID 11492288) is N-benzyl-1-phenylpropan-1-imine.
What is the SMILES notation for N-benzyl-1-phenylpropan-1-imine?
The canonical SMILES for N-benzyl-1-phenylpropan-1-imine is CC/C(=N\Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-phenylpropan-1-imine?
The InChIKey is GESHUCUZCCXJJF-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17N/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/b17-16+.
What are the key properties of N-benzyl-1-phenylpropan-1-imine?
N-benzyl-1-phenylpropan-1-imine has a molecular weight of 223.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylpropan-1-imine is sourced from PubChem (CID 11492288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).