2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine

C12H10Cl2FNS — CID 105055486

IUPAC2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1sccc1Cl
InChIInChI=1S/C12H10Cl2FNS/c13-8-2-1-7(10(15)6-8)5-11(16)12-9(14)3-4-17-12/h1-4,6,11H,5,16H2
InChIKeyYAWBTNDIIREWDG-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.44
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine

2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine (PubChem CID 105055486) has the molecular formula C12H10Cl2FNS and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
PubChem CID105055486
Molecular FormulaC12H10Cl2FNS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1F)c1sccc1Cl
InChIInChI=1S/C12H10Cl2FNS/c13-8-2-1-7(10(15)6-8)5-11(16)12-9(14)3-4-17-12/h1-4,6,11H,5,16H2
InChIKeyYAWBTNDIIREWDG-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
CID 80530624
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 106274096
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840443
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine (CID 105055486) is 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine is NC(Cc1ccc(Cl)cc1F)c1sccc1Cl.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine?
The InChIKey is YAWBTNDIIREWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNS/c13-8-2-1-7(10(15)6-8)5-11(16)12-9(14)3-4-17-12/h1-4,6,11H,5,16H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine?
2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine has a molecular weight of 290.19 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 105055486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).