3-phenyl-N-phenylmethoxyprop-2-en-1-imine

C16H15NO — CID 75740750

IUPAC3-phenyl-N-phenylmethoxyprop-2-en-1-imine
SMILESC(=Cc1ccccc1)C=NOCc1ccccc1
InChIInChI=1S/C16H15NO/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyYEIYKGLXVNFERV-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.90
Rot. Bonds5

About 3-phenyl-N-phenylmethoxyprop-2-en-1-imine

3-phenyl-N-phenylmethoxyprop-2-en-1-imine (PubChem CID 75740750) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-phenyl-N-phenylmethoxyprop-2-en-1-imine.

Molecular Properties

Compound Name3-phenyl-N-phenylmethoxyprop-2-en-1-imine
PubChem CID75740750
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-phenyl-N-phenylmethoxyprop-2-en-1-imine
SMILESC(=Cc1ccccc1)C=NOCc1ccccc1
InChIInChI=1S/C16H15NO/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyYEIYKGLXVNFERV-UHFFFAOYSA-N
XLogP3.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
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'}

Analyze 3-phenyl-N-phenylmethoxyprop-2-en-1-imine 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

2-phenylmethoxyiminoacetaldehyde
CID 56611193
(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine
CID 177391470
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine
CID 110839665
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(6E)-6-phenylmethoxyiminohexanal
CID 14120171
[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate
CID 87078782

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-phenylmethoxyprop-2-en-1-imine?
The IUPAC name of 3-phenyl-N-phenylmethoxyprop-2-en-1-imine (CID 75740750) is 3-phenyl-N-phenylmethoxyprop-2-en-1-imine.
What is the SMILES notation for 3-phenyl-N-phenylmethoxyprop-2-en-1-imine?
The canonical SMILES for 3-phenyl-N-phenylmethoxyprop-2-en-1-imine is C(=Cc1ccccc1)C=NOCc1ccccc1.
What is the InChIKey of 3-phenyl-N-phenylmethoxyprop-2-en-1-imine?
The InChIKey is YEIYKGLXVNFERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-13H,14H2.
What are the key properties of 3-phenyl-N-phenylmethoxyprop-2-en-1-imine?
3-phenyl-N-phenylmethoxyprop-2-en-1-imine has a molecular weight of 237.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-phenylmethoxyprop-2-en-1-imine is sourced from PubChem (CID 75740750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).