1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine

C13H18FNS — CID 105119564

IUPAC1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1ccccc1F
InChIInChI=1S/C13H18FNS/c14-12-4-2-1-3-11(12)13(15)9-10-5-7-16-8-6-10/h1-4,10,13H,5-9,15H2
InChIKeyYGEXXPFURMGMRW-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.36
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine

1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine (PubChem CID 105119564) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
PubChem CID105119564
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1ccccc1F
InChIInChI=1S/C13H18FNS/c14-12-4-2-1-3-11(12)13(15)9-10-5-7-16-8-6-10/h1-4,10,13H,5-9,15H2
InChIKeyYGEXXPFURMGMRW-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171211426
(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine
CID 130528115
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
[2-cyclopropyl-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216734

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine (CID 105119564) is 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine is NC(CC1CCSCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine?
The InChIKey is YGEXXPFURMGMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c14-12-4-2-1-3-11(12)13(15)9-10-5-7-16-8-6-10/h1-4,10,13H,5-9,15H2.
What are the key properties of 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine?
1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105119564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).