1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine

C17H19NO2 — CID 10849591

IUPAC1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCOc1ccc(OC)c(/C=N/[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-13(14-7-5-4-6-8-14)18-12-15-11-16(19-2)9-10-17(15)20-3/h4-13H,1-3H3/b18-12+/t13-/m0/s1
InChIKeyIHVPCIKBIJOLKK-HTMJNSLASA-N
MW269.34 g/mol
LogP3.88
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine

1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 10849591) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
PubChem CID10849591
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCOc1ccc(OC)c(/C=N/[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-13(14-7-5-4-6-8-14)18-12-15-11-16(19-2)9-10-17(15)20-3/h4-13H,1-3H3/b18-12+/t13-/m0/s1
InChIKeyIHVPCIKBIJOLKK-HTMJNSLASA-N
XLogP3.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
CID 10539917
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
zinc bis(2-[[(1R)-1-(4-methoxyphenyl)ethyl]iminomethyl]phenolate)
CID 139136381
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
CID 135828952
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
CID 118455718

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine (CID 10849591) is 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine is COc1ccc(OC)c(/C=N/[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is IHVPCIKBIJOLKK-HTMJNSLASA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-7-5-4-6-8-14)18-12-15-11-16(19-2)9-10-17(15)20-3/h4-13H,1-3H3/b18-12+/t13-/m0/s1.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine?
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 269.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 10849591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).