(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine

C14H19NO2 — CID 146163934

IUPAC(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine
SMILESC=CCC(/C=C/c1ccc(OC)cc1)NOC
InChIInChI=1S/C14H19NO2/c1-4-5-13(15-17-3)9-6-12-7-10-14(16-2)11-8-12/h4,6-11,13,15H,1,5H2,2-3H3/b9-6+
InChIKeyCCRSHAGQZIRPTD-RMKNXTFCSA-N
MW233.31 g/mol
LogP2.80
Rot. Bonds7

About (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine

(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine (PubChem CID 146163934) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine.

Molecular Properties

Compound Name(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine
PubChem CID146163934
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine
SMILESC=CCC(/C=C/c1ccc(OC)cc1)NOC
InChIInChI=1S/C14H19NO2/c1-4-5-13(15-17-3)9-6-12-7-10-14(16-2)11-8-12/h4,6-11,13,15H,1,5H2,2-3H3/b9-6+
InChIKeyCCRSHAGQZIRPTD-RMKNXTFCSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972
1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
(E)-4-(4-aminophenyl)-2-[2-[[(E)-4-(4-methoxyphenyl)-1-sulfanylbut-3-en-2-yl]amino]ethylamino]but-3-ene-1-thiol
CID 143265121
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine
CID 146163611
dimethyl 2-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]propanedioate
CID 101374633
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
CID 56837291

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine?
The IUPAC name of (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine (CID 146163934) is (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine.
What is the SMILES notation for (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine?
The canonical SMILES for (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine is C=CCC(/C=C/c1ccc(OC)cc1)NOC.
What is the InChIKey of (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine?
The InChIKey is CCRSHAGQZIRPTD-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-13(15-17-3)9-6-12-7-10-14(16-2)11-8-12/h4,6-11,13,15H,1,5H2,2-3H3/b9-6+.
What are the key properties of (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine?
(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine has a molecular weight of 233.31 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine is sourced from PubChem (CID 146163934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).