(1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine

C19H27F2NO — CID 143743051

IUPAC(1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine
SMILESCN/C(=C\C(=C/C(C)[C@@H](C)C(C)C)OC)c1ccc(F)cc1F
InChIInChI=1S/C19H27F2NO/c1-12(2)14(4)13(3)9-16(23-6)11-19(22-5)17-8-7-15(20)10-18(17)21/h7-14,22H,1-6H3/b16-9+,19-11-/t13?,14-/m0/s1
InChIKeyIKGVXOTUIOGWCD-INPUTOLLSA-N
MW323.43 g/mol
LogP4.98
Rot. Bonds7

About (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine

(1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine (PubChem CID 143743051) has the molecular formula C19H27F2NO and a molecular weight of 323.43 g/mol. Its IUPAC name is (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine
PubChem CID143743051
Molecular FormulaC19H27F2NO
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name(1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine
SMILESCN/C(=C\C(=C/C(C)[C@@H](C)C(C)C)OC)c1ccc(F)cc1F
InChIInChI=1S/C19H27F2NO/c1-12(2)14(4)13(3)9-16(23-6)11-19(22-5)17-8-7-15(20)10-18(17)21/h7-14,22H,1-6H3/b16-9+,19-11-/t13?,14-/m0/s1
InChIKeyIKGVXOTUIOGWCD-INPUTOLLSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.98
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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine (CID 143743051) is (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine is CN/C(=C\C(=C/C(C)[C@@H](C)C(C)C)OC)c1ccc(F)cc1F.
What is the InChIKey of (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine?
The InChIKey is IKGVXOTUIOGWCD-INPUTOLLSA-N. The full InChI is InChI=1S/C19H27F2NO/c1-12(2)14(4)13(3)9-16(23-6)11-19(22-5)17-8-7-15(20)10-18(17)21/h7-14,22H,1-6H3/b16-9+,19-11-/t13?,14-/m0/s1.
What are the key properties of (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine?
(1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine has a molecular weight of 323.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,6S)-1-(2,4-difluorophenyl)-3-methoxy-N,5,6,7-tetramethylocta-1,3-dien-1-amine is sourced from PubChem (CID 143743051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).