(E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine

C21H25FN2 — CID 146630150

IUPAC(E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine
SMILESC=CN/C(=C(\C)c1ccc(CCN)c(F)c1)c1ccc(CC)cc1
InChIInChI=1S/C21H25FN2/c1-4-16-6-8-18(9-7-16)21(24-5-2)15(3)19-11-10-17(12-13-23)20(22)14-19/h5-11,14,24H,2,4,12-13,23H2,1,3H3/b21-15+
InChIKeyXEXWEHNQCZVQMM-RCCKNPSSSA-N
MW324.44 g/mol
LogP4.51
Rot. Bonds7

About (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine

(E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine (PubChem CID 146630150) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine
PubChem CID146630150
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name(E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine
SMILESC=CN/C(=C(\C)c1ccc(CCN)c(F)c1)c1ccc(CC)cc1
InChIInChI=1S/C21H25FN2/c1-4-16-6-8-18(9-7-16)21(24-5-2)15(3)19-11-10-17(12-13-23)20(22)14-19/h5-11,14,24H,2,4,12-13,23H2,1,3H3/b21-15+
InChIKeyXEXWEHNQCZVQMM-RCCKNPSSSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-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

Related Compounds

(3E)-N-ethenyl-3-(4-ethylphenyl)-4-fluoropenta-1,3-dien-2-amine
CID 170599811
4-(2-aminoethyl)-3-fluorobenzoic acid
CID 68728467
N-ethenyl-4-ethylbenzenecarbothioamide
CID 143154132
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
2-(2,5-diethylphenyl)ethanamine
CID 117277667
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
(4-ethyl-3-fluorophenyl) 4-ethylbenzoate
CID 22089451
N'-[2-[4-[[[(E)-1,2-bis(3,4-diethylphenyl)prop-1-enyl]amino]methyl]phenyl]ethyl]propane-1,3-diamine
CID 138463246
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
2-(2-aminoethyl)-5-ethylbenzoic acid
CID 83853045
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine?
The IUPAC name of (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine (CID 146630150) is (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine?
The canonical SMILES for (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine is C=CN/C(=C(\C)c1ccc(CCN)c(F)c1)c1ccc(CC)cc1.
What is the InChIKey of (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine?
The InChIKey is XEXWEHNQCZVQMM-RCCKNPSSSA-N. The full InChI is InChI=1S/C21H25FN2/c1-4-16-6-8-18(9-7-16)21(24-5-2)15(3)19-11-10-17(12-13-23)20(22)14-19/h5-11,14,24H,2,4,12-13,23H2,1,3H3/b21-15+.
What are the key properties of (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine?
(E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine has a molecular weight of 324.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(2-aminoethyl)-3-fluorophenyl]-N-ethenyl-1-(4-ethylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 146630150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).