1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine

C16H17NO — CID 778491

IUPAC1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCOc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13(15-6-4-3-5-7-15)17-12-14-8-10-16(18-2)11-9-14/h3-13H,1-2H3/b17-12+/t13-/m0/s1
InChIKeyFCFYNGQBVPLYFF-VLURKWGBSA-N
MW239.32 g/mol
LogP3.88
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine

1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 778491) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
PubChem CID778491
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCOc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13(15-6-4-3-5-7-15)17-12-14-8-10-16(18-2)11-9-14/h3-13H,1-2H3/b17-12+/t13-/m0/s1
InChIKeyFCFYNGQBVPLYFF-VLURKWGBSA-N
XLogP3.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
CID 21205334
[4-[4-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phenyl] 4-methoxybenzoate
CID 101460971
2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
CID 118455718
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
zinc bis(2-[[(1R)-1-(4-methoxyphenyl)ethyl]iminomethyl]phenolate)
CID 139136381
(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
CID 11057576
(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
CID 6157504
1-(7-methoxy-1,3-benzodioxol-5-yl)-N-(1-phenylethyl)methanimine
CID 24971539

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine (CID 778491) is 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine is COc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is FCFYNGQBVPLYFF-VLURKWGBSA-N. The full InChI is InChI=1S/C16H17NO/c1-13(15-6-4-3-5-7-15)17-12-14-8-10-16(18-2)11-9-14/h3-13H,1-2H3/b17-12+/t13-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 239.32 g/mol, XLogP of 3.88, 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-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 778491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).