methane;N-methyl-1,3-diphenylprop-2-en-1-imine

C17H19N — CID 159060936

IUPACmethane;N-methyl-1,3-diphenylprop-2-en-1-imine
SMILESC.C/N=C(\C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N.CH4/c1-17-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14;/h2-13H,1H3;1H4/b13-12?,17-16+;
InChIKeyJYLPBDMFKYSGHR-ZDNKNQCGSA-N
MW237.35 g/mol
LogP4.45
Rot. Bonds3

About methane;N-methyl-1,3-diphenylprop-2-en-1-imine

methane;N-methyl-1,3-diphenylprop-2-en-1-imine (PubChem CID 159060936) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is methane;N-methyl-1,3-diphenylprop-2-en-1-imine.

Molecular Properties

Compound Namemethane;N-methyl-1,3-diphenylprop-2-en-1-imine
PubChem CID159060936
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Namemethane;N-methyl-1,3-diphenylprop-2-en-1-imine
SMILESC.C/N=C(\C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N.CH4/c1-17-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14;/h2-13H,1H3;1H4/b13-12?,17-16+;
InChIKeyJYLPBDMFKYSGHR-ZDNKNQCGSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.45
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

N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
CID 166064621
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 11680420
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea
CID 54228686
[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea
CID 54576742
(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
CID 102368885
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-1,3-diphenylprop-2-en-1-imine?
The IUPAC name of methane;N-methyl-1,3-diphenylprop-2-en-1-imine (CID 159060936) is methane;N-methyl-1,3-diphenylprop-2-en-1-imine.
What is the SMILES notation for methane;N-methyl-1,3-diphenylprop-2-en-1-imine?
The canonical SMILES for methane;N-methyl-1,3-diphenylprop-2-en-1-imine is C.C/N=C(\C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of methane;N-methyl-1,3-diphenylprop-2-en-1-imine?
The InChIKey is JYLPBDMFKYSGHR-ZDNKNQCGSA-N. The full InChI is InChI=1S/C16H15N.CH4/c1-17-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14;/h2-13H,1H3;1H4/b13-12?,17-16+;.
What are the key properties of methane;N-methyl-1,3-diphenylprop-2-en-1-imine?
methane;N-methyl-1,3-diphenylprop-2-en-1-imine has a molecular weight of 237.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-1,3-diphenylprop-2-en-1-imine is sourced from PubChem (CID 159060936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).