1-(4-methoxy-2-propoxyphenyl)ethanimine

C12H17NO2 — CID 123923522

IUPAC1-(4-methoxy-2-propoxyphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(OC)cc1OCCC
InChIInChI=1S/C12H17NO2/c1-4-7-15-12-8-10(14-3)5-6-11(12)9(2)13/h5-6,8,13H,4,7H2,1-3H3/b13-9+
InChIKeyQNEYXIPYQUOKQV-UKTHLTGXSA-N
MW207.27 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-methoxy-2-propoxyphenyl)ethanimine

1-(4-methoxy-2-propoxyphenyl)ethanimine (PubChem CID 123923522) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-methoxy-2-propoxyphenyl)ethanimine.

Molecular Properties

Compound Name1-(4-methoxy-2-propoxyphenyl)ethanimine
PubChem CID123923522
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-methoxy-2-propoxyphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(OC)cc1OCCC
InChIInChI=1S/C12H17NO2/c1-4-7-15-12-8-10(14-3)5-6-11(12)9(2)13/h5-6,8,13H,4,7H2,1-3H3/b13-9+
InChIKeyQNEYXIPYQUOKQV-UKTHLTGXSA-N
XLogP2.87
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
3-(4-ethanimidoyl-3-propoxyphenoxy)-4-hydroxybutan-2-one
CID 123385953
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854
ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
CID 22721088
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
2,4-dimethoxybenzenecarboximidamide
CID 4138242
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
CID 106725008
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
2-(2-ethanimidoyl-5-methoxyanilino)acetamide
CID 144505829

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-propoxyphenyl)ethanimine?
The IUPAC name of 1-(4-methoxy-2-propoxyphenyl)ethanimine (CID 123923522) is 1-(4-methoxy-2-propoxyphenyl)ethanimine.
What is the SMILES notation for 1-(4-methoxy-2-propoxyphenyl)ethanimine?
The canonical SMILES for 1-(4-methoxy-2-propoxyphenyl)ethanimine is [H]/N=C(\C)c1ccc(OC)cc1OCCC.
What is the InChIKey of 1-(4-methoxy-2-propoxyphenyl)ethanimine?
The InChIKey is QNEYXIPYQUOKQV-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-7-15-12-8-10(14-3)5-6-11(12)9(2)13/h5-6,8,13H,4,7H2,1-3H3/b13-9+.
What are the key properties of 1-(4-methoxy-2-propoxyphenyl)ethanimine?
1-(4-methoxy-2-propoxyphenyl)ethanimine has a molecular weight of 207.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-propoxyphenyl)ethanimine is sourced from PubChem (CID 123923522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).