(3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine

C24H36FNO — CID 142549997

IUPAC(3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine
SMILESC=C(/C=C\C(=C/CC)N(CCCCCCCC)Cc1ccc(F)cc1)OC
InChIInChI=1S/C24H36FNO/c1-5-7-8-9-10-11-19-26(20-22-14-16-23(25)17-15-22)24(12-6-2)18-13-21(3)27-4/h12-18H,3,5-11,19-20H2,1-2,4H3/b18-13-,24-12+
InChIKeyKTZMEGBOMCSVNP-DIZMWVFMSA-N
MW373.56 g/mol
LogP7.00
Rot. Bonds14

About (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine

(3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine (PubChem CID 142549997) has the molecular formula C24H36FNO and a molecular weight of 373.56 g/mol. Its IUPAC name is (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine
PubChem CID142549997
Molecular FormulaC24H36FNO
Molecular Weight373.56 g/mol
Exact Mass373.28
IUPAC Name(3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine
SMILESC=C(/C=C\C(=C/CC)N(CCCCCCCC)Cc1ccc(F)cc1)OC
InChIInChI=1S/C24H36FNO/c1-5-7-8-9-10-11-19-26(20-22-14-16-23(25)17-15-22)24(12-6-2)18-13-21(3)27-4/h12-18H,3,5-11,19-20H2,1-2,4H3/b18-13-,24-12+
InChIKeyKTZMEGBOMCSVNP-DIZMWVFMSA-N
XLogP7.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.56
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine?
The IUPAC name of (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine (CID 142549997) is (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine is C=C(/C=C\C(=C/CC)N(CCCCCCCC)Cc1ccc(F)cc1)OC.
What is the InChIKey of (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine?
The InChIKey is KTZMEGBOMCSVNP-DIZMWVFMSA-N. The full InChI is InChI=1S/C24H36FNO/c1-5-7-8-9-10-11-19-26(20-22-14-16-23(25)17-15-22)24(12-6-2)18-13-21(3)27-4/h12-18H,3,5-11,19-20H2,1-2,4H3/b18-13-,24-12+.
What are the key properties of (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine?
(3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine has a molecular weight of 373.56 g/mol, XLogP of 7.00, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine is sourced from PubChem (CID 142549997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).