(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine

C19H29FN2O2 — CID 142457099

IUPAC(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine
SMILESCCC/C(=C\C=C(\C)NOC)c1ccc(C(OC)C(N)CF)cc1
InChIInChI=1S/C19H29FN2O2/c1-5-6-15(8-7-14(2)22-24-4)16-9-11-17(12-10-16)19(23-3)18(21)13-20/h7-12,18-19,22H,5-6,13,21H2,1-4H3/b14-7-,15-8+
InChIKeyPRHQISRFKQZCPH-UFSWOOAPSA-N
MW336.45 g/mol
LogP3.91
Rot. Bonds10

About (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine

(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine (PubChem CID 142457099) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine
PubChem CID142457099
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine
SMILESCCC/C(=C\C=C(\C)NOC)c1ccc(C(OC)C(N)CF)cc1
InChIInChI=1S/C19H29FN2O2/c1-5-6-15(8-7-14(2)22-24-4)16-9-11-17(12-10-16)19(23-3)18(21)13-20/h7-12,18-19,22H,5-6,13,21H2,1-4H3/b14-7-,15-8+
InChIKeyPRHQISRFKQZCPH-UFSWOOAPSA-N
XLogP3.91
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-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

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine (CID 142457099) is (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine is CCC/C(=C\C=C(\C)NOC)c1ccc(C(OC)C(N)CF)cc1.
What is the InChIKey of (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine?
The InChIKey is PRHQISRFKQZCPH-UFSWOOAPSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-5-6-15(8-7-14(2)22-24-4)16-9-11-17(12-10-16)19(23-3)18(21)13-20/h7-12,18-19,22H,5-6,13,21H2,1-4H3/b14-7-,15-8+.
What are the key properties of (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine?
(2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine has a molecular weight of 336.45 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-N-methoxyocta-2,4-dien-2-amine is sourced from PubChem (CID 142457099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).