N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine

C16H13NO — CID 10037064

IUPACN-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
SMILESCOc1ccc(/N=C/C#Cc2ccccc2)cc1
InChIInChI=1S/C16H13NO/c1-18-16-11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-13H,1H3/b17-13+
InChIKeyQGLYOLZGUPZPPY-GHRIWEEISA-N
MW235.29 g/mol
LogP3.45
Rot. Bonds2

About N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine

N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine (PubChem CID 10037064) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
PubChem CID10037064
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC NameN-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
SMILESCOc1ccc(/N=C/C#Cc2ccccc2)cc1
InChIInChI=1S/C16H13NO/c1-18-16-11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-13H,1H3/b17-13+
InChIKeyQGLYOLZGUPZPPY-GHRIWEEISA-N
XLogP3.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.45
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

1-methoxy-4-(2-phenylethynoxy)benzene
CID 154395272
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine
CID 10872538
N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine
CID 135072087
1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene
CID 102111194
1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene
CID 102460200
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene
CID 10035380
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
trimethyl-[(Z)-4-phenylbut-1-en-3-ynyl]silane
CID 101156945
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine?
The IUPAC name of N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine (CID 10037064) is N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine?
The canonical SMILES for N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine is COc1ccc(/N=C/C#Cc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine?
The InChIKey is QGLYOLZGUPZPPY-GHRIWEEISA-N. The full InChI is InChI=1S/C16H13NO/c1-18-16-11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-13H,1H3/b17-13+.
What are the key properties of N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine?
N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine has a molecular weight of 235.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine is sourced from PubChem (CID 10037064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).