2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine

C13H14FNS — CID 114347626

IUPAC2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
SMILESCc1cc(F)ccc1CC(N)c1cccs1
InChIInChI=1S/C13H14FNS/c1-9-7-11(14)5-4-10(9)8-12(15)13-3-2-6-16-13/h2-7,12H,8,15H2,1H3
InChIKeySYSJAMMHBXLZFX-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine

2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine (PubChem CID 114347626) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
PubChem CID114347626
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
SMILESCc1cc(F)ccc1CC(N)c1cccs1
InChIInChI=1S/C13H14FNS/c1-9-7-11(14)5-4-10(9)8-12(15)13-3-2-6-16-13/h2-7,12H,8,15H2,1H3
InChIKeySYSJAMMHBXLZFX-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-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine
CID 62608112
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
[1-(4-fluoro-2-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211952
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62134219
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050976
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 105051024
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine (CID 114347626) is 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine is Cc1cc(F)ccc1CC(N)c1cccs1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is SYSJAMMHBXLZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-7-11(14)5-4-10(9)8-12(15)13-3-2-6-16-13/h2-7,12H,8,15H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine?
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine 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-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 114347626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).