(3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine

C15H18FN — CID 170599811

IUPAC(3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine
SMILESC=CNC(=C)/C(=C(\C)F)c1ccc(CC)cc1
InChIInChI=1S/C15H18FN/c1-5-13-7-9-14(10-8-13)15(11(3)16)12(4)17-6-2/h6-10,17H,2,4-5H2,1,3H3/b15-11-
InChIKeyBBLRJHCOEZRNII-PTNGSMBKSA-N
MW231.31 g/mol
LogP4.20
Rot. Bonds5

About (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine

(3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine (PubChem CID 170599811) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine
PubChem CID170599811
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name(3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine
SMILESC=CNC(=C)/C(=C(\C)F)c1ccc(CC)cc1
InChIInChI=1S/C15H18FN/c1-5-13-7-9-14(10-8-13)15(11(3)16)12(4)17-6-2/h6-10,17H,2,4-5H2,1,3H3/b15-11-
InChIKeyBBLRJHCOEZRNII-PTNGSMBKSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine (CID 170599811) is (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine is C=CNC(=C)/C(=C(\C)F)c1ccc(CC)cc1.
What is the InChIKey of (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine?
The InChIKey is BBLRJHCOEZRNII-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H18FN/c1-5-13-7-9-14(10-8-13)15(11(3)16)12(4)17-6-2/h6-10,17H,2,4-5H2,1,3H3/b15-11-.
What are the key properties of (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine?
(3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine has a molecular weight of 231.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine is sourced from PubChem (CID 170599811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).