N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine

C13H12Cl2FNS — CID 43492027

IUPACN-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H12Cl2FNS/c1-2-17-13(11-5-6-12(15)18-11)9-4-3-8(14)7-10(9)16/h3-7,13,17H,2H2,1H3
InChIKeyZPVYZEIYPZVXIV-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.89
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine

N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 43492027) has the molecular formula C13H12Cl2FNS and a molecular weight of 304.22 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID43492027
Molecular FormulaC13H12Cl2FNS
Molecular Weight304.22 g/mol
Exact Mass303.01
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H12Cl2FNS/c1-2-17-13(11-5-6-12(15)18-11)9-4-3-8(14)7-10(9)16/h3-7,13,17H,2H2,1H3
InChIKeyZPVYZEIYPZVXIV-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine 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-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488147
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 103394718
N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114859171
N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 106851640
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine (CID 43492027) is N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is ZPVYZEIYPZVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNS/c1-2-17-13(11-5-6-12(15)18-11)9-4-3-8(14)7-10(9)16/h3-7,13,17H,2H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine?
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 304.22 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43492027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).