(E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide

C17H17NO2 — CID 13351421

IUPAC(E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide
SMILESCOc1ccc(C(/C=C/c2ccccc2)=[N+](\C)[O-])cc1
InChIInChI=1S/C17H17NO2/c1-18(19)17(13-8-14-6-4-3-5-7-14)15-9-11-16(20-2)12-10-15/h3-13H,1-2H3/b13-8+,18-17+
InChIKeyPOHZFMMDQUMDEP-MUXWPUSVSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds4

About (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide

(E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide (PubChem CID 13351421) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide
PubChem CID13351421
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide
SMILESCOc1ccc(C(/C=C/c2ccccc2)=[N+](\C)[O-])cc1
InChIInChI=1S/C17H17NO2/c1-18(19)17(13-8-14-6-4-3-5-7-14)15-9-11-16(20-2)12-10-15/h3-13H,1-2H3/b13-8+,18-17+
InChIKeyPOHZFMMDQUMDEP-MUXWPUSVSA-N
XLogP3.34
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(1E,6E)-4-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]-1,7-diphenylhepta-1,6-diene-3,5-dione
CID 53348923
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
CID 72722749
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
(E)-1-(4-methoxyphenyl)-5-phenylpent-4-en-2-yn-1-one
CID 102363775
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate
CID 770356
[(Z)-[(E)-1-phenylpent-1-en-3-ylidene]amino] 4-methoxybenzoate
CID 6339517

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide (CID 13351421) is (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide is COc1ccc(C(/C=C/c2ccccc2)=[N+](\C)[O-])cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide?
The InChIKey is POHZFMMDQUMDEP-MUXWPUSVSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(19)17(13-8-14-6-4-3-5-7-14)15-9-11-16(20-2)12-10-15/h3-13H,1-2H3/b13-8+,18-17+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide?
(E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide has a molecular weight of 267.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-methyl-3-phenylprop-2-en-1-imine oxide is sourced from PubChem (CID 13351421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).