(1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine

C18H16ClFN2 — CID 134462919

IUPAC(1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine
SMILESC=C(N)c1cccc(Cl)c1C(=C)/C=C(\N)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2/c1-11(10-17(22)13-6-8-14(20)9-7-13)18-15(12(2)21)4-3-5-16(18)19/h3-10H,1-2,21-22H2/b17-10-
InChIKeyMYQYZPYOBTYLLF-YVLHZVERSA-N
MW314.79 g/mol
LogP4.42
Rot. Bonds4

About (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine

(1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine (PubChem CID 134462919) has the molecular formula C18H16ClFN2 and a molecular weight of 314.79 g/mol. Its IUPAC name is (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine
PubChem CID134462919
Molecular FormulaC18H16ClFN2
Molecular Weight314.79 g/mol
Exact Mass314.10
IUPAC Name(1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine
SMILESC=C(N)c1cccc(Cl)c1C(=C)/C=C(\N)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2/c1-11(10-17(22)13-6-8-14(20)9-7-13)18-15(12(2)21)4-3-5-16(18)19/h3-10H,1-2,21-22H2/b17-10-
InChIKeyMYQYZPYOBTYLLF-YVLHZVERSA-N
XLogP4.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-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

[3-Chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium
CID 108392932
[3-Chloro-4-(4-fluoro-2-methylphenyl)phenyl]methylazanium
CID 137349573
[2-(2-Chlorophenyl)-4-fluorophenyl]methanamine
CID 19105315
[2-Chloro-6-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 19807632
(Z)-2-(3-chloro-2-fluorophenyl)-1-(2,4-dichlorophenyl)ethenamine
CID 68266305
(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethenamine
CID 68266409
(Z)-1-(4-chloro-2-fluorophenyl)-2-(2,3-difluorophenyl)ethenamine
CID 68266410
(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethenamine
CID 68266419
(Z)-1-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethenamine
CID 68266423
(Z)-1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethenamine
CID 68266549
(Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine
CID 70957027
(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine
CID 70957036

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine (CID 134462919) is (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine is C=C(N)c1cccc(Cl)c1C(=C)/C=C(\N)c1ccc(F)cc1.
What is the InChIKey of (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine?
The InChIKey is MYQYZPYOBTYLLF-YVLHZVERSA-N. The full InChI is InChI=1S/C18H16ClFN2/c1-11(10-17(22)13-6-8-14(20)9-7-13)18-15(12(2)21)4-3-5-16(18)19/h3-10H,1-2,21-22H2/b17-10-.
What are the key properties of (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine?
(1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine has a molecular weight of 314.79 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 134462919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).