(1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine

C18H25F2NO — CID 143742954

IUPAC(1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine
SMILESCCC(C)C(C)/C=C(\C=C(/NC)c1ccc(F)cc1F)OC
InChIInChI=1S/C18H25F2NO/c1-6-12(2)13(3)9-15(22-5)11-18(21-4)16-8-7-14(19)10-17(16)20/h7-13,21H,6H2,1-5H3/b15-9+,18-11-
InChIKeyLIVRPWOTWVKCQX-ZMPUUWHMSA-N
MW309.40 g/mol
LogP4.74
Rot. Bonds7

About (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine

(1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine (PubChem CID 143742954) has the molecular formula C18H25F2NO and a molecular weight of 309.40 g/mol. Its IUPAC name is (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine
PubChem CID143742954
Molecular FormulaC18H25F2NO
Molecular Weight309.40 g/mol
Exact Mass309.19
IUPAC Name(1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine
SMILESCCC(C)C(C)/C=C(\C=C(/NC)c1ccc(F)cc1F)OC
InChIInChI=1S/C18H25F2NO/c1-6-12(2)13(3)9-15(22-5)11-18(21-4)16-8-7-14(19)10-17(16)20/h7-13,21H,6H2,1-5H3/b15-9+,18-11-
InChIKeyLIVRPWOTWVKCQX-ZMPUUWHMSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.74
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 (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine (CID 143742954) is (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine is CCC(C)C(C)/C=C(\C=C(/NC)c1ccc(F)cc1F)OC.
What is the InChIKey of (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine?
The InChIKey is LIVRPWOTWVKCQX-ZMPUUWHMSA-N. The full InChI is InChI=1S/C18H25F2NO/c1-6-12(2)13(3)9-15(22-5)11-18(21-4)16-8-7-14(19)10-17(16)20/h7-13,21H,6H2,1-5H3/b15-9+,18-11-.
What are the key properties of (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine?
(1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine has a molecular weight of 309.40 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6-trimethylocta-1,3-dien-1-amine is sourced from PubChem (CID 143742954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).