2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine

C13H14FNS — CID 102832102

IUPAC2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1sccc1C(N)Cc1ccccc1F
InChIInChI=1S/C13H14FNS/c1-9-11(6-7-16-9)13(15)8-10-4-2-3-5-12(10)14/h2-7,13H,8,15H2,1H3
InChIKeyCQSHKPIWKKQMMS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.44
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine

2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102832102) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102832102
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1sccc1C(N)Cc1ccccc1F
InChIInChI=1S/C13H14FNS/c1-9-11(6-7-16-9)13(15)8-10-4-2-3-5-12(10)14/h2-7,13H,8,15H2,1H3
InChIKeyCQSHKPIWKKQMMS-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 114103103
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832955
1-(4-chloronaphthalen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 79591908
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
[2-(2-chloro-6-fluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 102842734
2-(2-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105090092
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine (CID 102832102) is 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine is Cc1sccc1C(N)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is CQSHKPIWKKQMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-11(6-7-16-9)13(15)8-10-4-2-3-5-12(10)14/h2-7,13H,8,15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine?
2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102832102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).