1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine

C17H19NO2 — CID 134883991

IUPAC1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
SMILESCOc1cc(/C=N/C(C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H19NO2/c1-13(15-7-5-4-6-8-15)18-12-14-9-16(19-2)11-17(10-14)20-3/h4-13H,1-3H3/b18-12+
InChIKeyGSWUAPSONRXLRP-LDADJPATSA-N
MW269.34 g/mol
LogP3.88
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine

1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine (PubChem CID 134883991) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
PubChem CID134883991
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
SMILESCOc1cc(/C=N/C(C)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H19NO2/c1-13(15-7-5-4-6-8-15)18-12-14-9-16(19-2)11-17(10-14)20-3/h4-13H,1-3H3/b18-12+
InChIKeyGSWUAPSONRXLRP-LDADJPATSA-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-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
1-(7-methoxy-1,3-benzodioxol-5-yl)-N-(1-phenylethyl)methanimine
CID 24971539
1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
CID 21205334
[4-[4-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phenyl] 4-methoxybenzoate
CID 101460971
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774
2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
CID 118455718
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline
CID 139982453
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine (CID 134883991) is 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine is COc1cc(/C=N/C(C)c2ccccc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine?
The InChIKey is GSWUAPSONRXLRP-LDADJPATSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(15-7-5-4-6-8-15)18-12-14-9-16(19-2)11-17(10-14)20-3/h4-13H,1-3H3/b18-12+.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine?
1-(3,5-dimethoxyphenyl)-N-(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-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine is sourced from PubChem (CID 134883991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).