[[(E)-benzylideneamino]-phenylmethyl] formate;ethane

C17H19NO2 — CID 156855625

IUPAC[[(E)-benzylideneamino]-phenylmethyl] formate;ethane
SMILESCC.O=COC(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2.C2H6/c17-12-18-15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13;1-2/h1-12,15H;1-2H3/b16-11+;
InChIKeyBMGVJTGMBPYFTJ-YFMOEUEHSA-N
MW269.34 g/mol
LogP4.00
Rot. Bonds5

About [[(E)-benzylideneamino]-phenylmethyl] formate;ethane

[[(E)-benzylideneamino]-phenylmethyl] formate;ethane (PubChem CID 156855625) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [[(E)-benzylideneamino]-phenylmethyl] formate;ethane.

Molecular Properties

Compound Name[[(E)-benzylideneamino]-phenylmethyl] formate;ethane
PubChem CID156855625
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[[(E)-benzylideneamino]-phenylmethyl] formate;ethane
SMILESCC.O=COC(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2.C2H6/c17-12-18-15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13;1-2/h1-12,15H;1-2H3/b16-11+;
InChIKeyBMGVJTGMBPYFTJ-YFMOEUEHSA-N
XLogP4.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [[(E)-benzylideneamino]-phenylmethyl] formate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate
CID 24906131
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
methyl (Z)-N-[phenyl(trimethylsilyl)methyl]benzenecarboximidate
CID 11098524
Benzyl benzylidenecarbamate
CID 10681461
benzyl (NZ)-N-[amino-[4-(aminomethyl)phenyl]methylidene]carbamate
CID 11121820
Benzyl 2-(benzylideneamino)acetate
CID 19895302
benzyl (NE)-N-[(4-methylphenyl)methylidene]carbamate
CID 57381475
benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate
CID 59510759
benzyl (NE)-N-[(3-methylphenyl)methylidene]carbamate
CID 59510773
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 156226445
N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 5889185

Frequently Asked Questions

What is the IUPAC name of [[(E)-benzylideneamino]-phenylmethyl] formate;ethane?
The IUPAC name of [[(E)-benzylideneamino]-phenylmethyl] formate;ethane (CID 156855625) is [[(E)-benzylideneamino]-phenylmethyl] formate;ethane.
What is the SMILES notation for [[(E)-benzylideneamino]-phenylmethyl] formate;ethane?
The canonical SMILES for [[(E)-benzylideneamino]-phenylmethyl] formate;ethane is CC.O=COC(/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [[(E)-benzylideneamino]-phenylmethyl] formate;ethane?
The InChIKey is BMGVJTGMBPYFTJ-YFMOEUEHSA-N. The full InChI is InChI=1S/C15H13NO2.C2H6/c17-12-18-15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13;1-2/h1-12,15H;1-2H3/b16-11+;.
What are the key properties of [[(E)-benzylideneamino]-phenylmethyl] formate;ethane?
[[(E)-benzylideneamino]-phenylmethyl] formate;ethane has a molecular weight of 269.34 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-benzylideneamino]-phenylmethyl] formate;ethane is sourced from PubChem (CID 156855625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).