1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine

C16H17NO — CID 130450692

IUPAC1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine
SMILESC/N=C(/Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C16H17NO/c1-17-16(11-13-7-4-3-5-8-13)14-9-6-10-15(12-14)18-2/h3-10,12H,11H2,1-2H3/b17-16-
InChIKeyNZQLQJJWSWROLU-MSUUIHNZSA-N
MW239.32 g/mol
LogP3.36
Rot. Bonds4

About 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine

1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine (PubChem CID 130450692) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine
PubChem CID130450692
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine
SMILESC/N=C(/Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C16H17NO/c1-17-16(11-13-7-4-3-5-8-13)14-9-6-10-15(12-14)18-2/h3-10,12H,11H2,1-2H3/b17-16-
InChIKeyNZQLQJJWSWROLU-MSUUIHNZSA-N
XLogP3.36
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 ≤ 53.36
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

3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[1-(3-methoxyphenyl)propylidene]hydroxylamine
CID 159100892
(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
(Z)-3-benzyl-2-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 10763625
2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
CID 54101281
(E)-N-phenoxy-1,2-diphenylethanimine
CID 102323138
2-(4-benzylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide
CID 44723893
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]phenol
CID 141465495

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine (CID 130450692) is 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine is C/N=C(/Cc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine?
The InChIKey is NZQLQJJWSWROLU-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-16(11-13-7-4-3-5-8-13)14-9-6-10-15(12-14)18-2/h3-10,12H,11H2,1-2H3/b17-16-.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine?
1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine has a molecular weight of 239.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine is sourced from PubChem (CID 130450692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).