(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine

C13H14FNS — CID 28683392

IUPAC(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H14FNS/c1-10(13-6-3-7-16-13)15-9-11-4-2-5-12(14)8-11/h2-8,10,15H,9H2,1H3/t10-/m0/s1
InChIKeyAHXAHYHAMOTHCG-JTQLQIEISA-N
MW235.33 g/mol
LogP3.74
Rot. Bonds4

About (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 28683392) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID28683392
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H14FNS/c1-10(13-6-3-7-16-13)15-9-11-4-2-5-12(14)8-11/h2-8,10,15H,9H2,1H3/t10-/m0/s1
InChIKeyAHXAHYHAMOTHCG-JTQLQIEISA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 43773033
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 102675126
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43777650
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine (CID 28683392) is (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine is C[C@H](NCc1cccc(F)c1)c1cccs1.
What is the InChIKey of (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is AHXAHYHAMOTHCG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14FNS/c1-10(13-6-3-7-16-13)15-9-11-4-2-5-12(14)8-11/h2-8,10,15H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 28683392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).