1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine

C13H12Cl2FNS — CID 114886081

IUPAC1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H12Cl2FNS/c1-17-12(7-9-3-5-13(15)18-9)10-6-8(14)2-4-11(10)16/h2-6,12,17H,7H2,1H3
InChIKeyFMQUVAAHCUVUHW-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.70
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine

1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine (PubChem CID 114886081) has the molecular formula C13H12Cl2FNS and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
PubChem CID114886081
Molecular FormulaC13H12Cl2FNS
Molecular Weight304.22 g/mol
Exact Mass303.01
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H12Cl2FNS/c1-17-12(7-9-3-5-13(15)18-9)10-6-8(14)2-4-11(10)16/h2-6,12,17H,7H2,1H3
InChIKeyFMQUVAAHCUVUHW-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115841386
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
[1-(4-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105217959
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
2-(5-chloro-2-fluorophenyl)-2-(methylamino)ethanethiol
CID 116830674
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
2-(5-chlorothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 115841555
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine (CID 114886081) is 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)s1)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The InChIKey is FMQUVAAHCUVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNS/c1-17-12(7-9-3-5-13(15)18-9)10-6-8(14)2-4-11(10)16/h2-6,12,17H,7H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine has a molecular weight of 304.22 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 114886081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).