(2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine

C13H15NO — CID 134341617

IUPAC(2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(Oc1ccccc1)=C(/C)N
InChIInChI=1S/C13H15NO/c1-3-4-10-13(11(2)14)15-12-8-6-5-7-9-12/h3-10H,1,14H2,2H3/b10-4-,13-11-
InChIKeyLOFFQCQUVZJYIC-AJVTVMGNSA-N
MW201.27 g/mol
LogP3.00
Rot. Bonds4

About (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine

(2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine (PubChem CID 134341617) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine
PubChem CID134341617
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(Oc1ccccc1)=C(/C)N
InChIInChI=1S/C13H15NO/c1-3-4-10-13(11(2)14)15-12-8-6-5-7-9-12/h3-10H,1,14H2,2H3/b10-4-,13-11-
InChIKeyLOFFQCQUVZJYIC-AJVTVMGNSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
CID 143117952
phenyl carbamate;prop-1-ene
CID 158313196
methyl (1Z,2Z)-N-phenoxycarbonylpenta-2,4-dienimidate
CID 177469291
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
2-O-[(2E,4Z)-hepta-2,4,6-trien-2-yl] 1-O-phenyl oxalate
CID 166696592
buta-1,3-diene;diphenyl carbonate
CID 87173366
diphenyl 2-but-3-en-2-ylpropanedioate
CID 171777600
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
[4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine
CID 146577554
[(2Z,4Z)-3-propan-2-ylhepta-2,4,6-trienoxy]benzene
CID 142029471
[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate
CID 130346897

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine (CID 134341617) is (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine is C=C/C=C\C(Oc1ccccc1)=C(/C)N.
What is the InChIKey of (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine?
The InChIKey is LOFFQCQUVZJYIC-AJVTVMGNSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-4-10-13(11(2)14)15-12-8-6-5-7-9-12/h3-10H,1,14H2,2H3/b10-4-,13-11-.
What are the key properties of (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine?
(2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine has a molecular weight of 201.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-phenoxyhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 134341617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).