(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'}

Analyze (3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-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

Related Compounds

N-ethenyl-4-ethylbenzenecarbothioamide
CID 143154132
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
(E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine
CID 146630150
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
1-butyl-4-[(3Z)-5-(4-ethylphenyl)-3,4-difluorohexa-1,3,5-trien-2-yl]benzene
CID 118911708
ethane;1-(4-ethylphenyl)ethenamine
CID 143067689
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
CID 143774858
1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene
CID 142017395

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).