1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine

C24H21NO — CID 57408596

IUPAC1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine
SMILESCOc1ccc(/C(C#Cc2ccccc2)=N/Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H21NO/c1-19-8-10-21(11-9-19)18-25-24(17-12-20-6-4-3-5-7-20)22-13-15-23(26-2)16-14-22/h3-11,13-16H,18H2,1-2H3/b25-24+
InChIKeyAPUALYVIHGUJAZ-OCOZRVBESA-N
MW339.44 g/mol
LogP5.04
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine

1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine (PubChem CID 57408596) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine
PubChem CID57408596
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine
SMILESCOc1ccc(/C(C#Cc2ccccc2)=N/Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H21NO/c1-19-8-10-21(11-9-19)18-25-24(17-12-20-6-4-3-5-7-20)22-13-15-23(26-2)16-14-22/h3-11,13-16H,18H2,1-2H3/b25-24+
InChIKeyAPUALYVIHGUJAZ-OCOZRVBESA-N
XLogP5.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 71659055
(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine
CID 71620043
N-tert-butyl-3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-imine
CID 71659312
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
1-methoxy-4-(2-phenylethynoxy)benzene
CID 154395272
1-methoxy-4-methylbenzene;phenol
CID 167630836
1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594542
1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594546
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
S-phenacyl 4-methoxybenzenecarbothioate
CID 135051267
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine (CID 57408596) is 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine is COc1ccc(/C(C#Cc2ccccc2)=N/Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine?
The InChIKey is APUALYVIHGUJAZ-OCOZRVBESA-N. The full InChI is InChI=1S/C24H21NO/c1-19-8-10-21(11-9-19)18-25-24(17-12-20-6-4-3-5-7-20)22-13-15-23(26-2)16-14-22/h3-11,13-16H,18H2,1-2H3/b25-24+.
What are the key properties of 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine?
1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine has a molecular weight of 339.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine is sourced from PubChem (CID 57408596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).