1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine

C13H18N2O — CID 163780680

IUPAC1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine
SMILESCOCC(N)=C/C=N/CCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-16-11-13(14)8-10-15-9-7-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11,14H2,1H3/b13-8?,15-10+
InChIKeyBAGAPQRRASTJSL-QCCVDYAFSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds6

About 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine

1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine (PubChem CID 163780680) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine.

Molecular Properties

Compound Name1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine
PubChem CID163780680
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine
SMILESCOCC(N)=C/C=N/CCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-16-11-13(14)8-10-15-9-7-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11,14H2,1H3/b13-8?,15-10+
InChIKeyBAGAPQRRASTJSL-QCCVDYAFSA-N
XLogP1.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
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

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
CID 101241172
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
CID 13326607
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
CID 101024184
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
CID 139716124
(2E,4Z)-5-methoxy-1-methylimino-4-phenylpenta-2,4-dien-2-amine
CID 143761359
4-Benzylimino-1-methoxy-3-methylbut-2-en-2-amine
CID 149179096
4-Methylimino-1-phenylbut-2-en-2-amine
CID 153671986
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
CID 682847
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
CID 5392309
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
CID 10657101
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine
CID 10910950

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine?
The IUPAC name of 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine (CID 163780680) is 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine.
What is the SMILES notation for 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine?
The canonical SMILES for 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine is COCC(N)=C/C=N/CCc1ccccc1.
What is the InChIKey of 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine?
The InChIKey is BAGAPQRRASTJSL-QCCVDYAFSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-11-13(14)8-10-15-9-7-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11,14H2,1H3/b13-8?,15-10+.
What are the key properties of 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine?
1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-phenylethylimino)but-2-en-2-amine is sourced from PubChem (CID 163780680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).