2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine

C13H14FNS — CID 79803199

IUPAC2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCc1cscc1C(N)Cc1cccc(F)c1
InChIInChI=1S/C13H14FNS/c1-9-7-16-8-12(9)13(15)6-10-3-2-4-11(14)5-10/h2-5,7-8,13H,6,15H2,1H3
InChIKeyONBCPARVSWAIPY-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.44
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine

2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 79803199) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID79803199
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCc1cscc1C(N)Cc1cccc(F)c1
InChIInChI=1S/C13H14FNS/c1-9-7-16-8-12(9)13(15)6-10-3-2-4-11(14)5-10/h2-5,7-8,13H,6,15H2,1H3
InChIKeyONBCPARVSWAIPY-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-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79807982
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 43150867
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 43118220
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine (CID 79803199) is 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine is Cc1cscc1C(N)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is ONBCPARVSWAIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-7-16-8-12(9)13(15)6-10-3-2-4-11(14)5-10/h2-5,7-8,13H,6,15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
2-(3-fluorophenyl)-1-(4-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-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 79803199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).