(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine

C13H18FNS — CID 107132261

IUPAC(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCSC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNS/c1-10(12-2-4-13(14)5-3-12)15-8-11-6-7-16-9-11/h2-5,10-11,15H,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyNKSUYUJRZMGRCS-NFJWQWPMSA-N
MW239.36 g/mol
LogP3.23
Rot. Bonds4

About (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine

(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107132261) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107132261
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCSC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNS/c1-10(12-2-4-13(14)5-3-12)15-8-11-6-7-16-9-11/h2-5,10-11,15H,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyNKSUYUJRZMGRCS-NFJWQWPMSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131508
1-(4-methylsulfonylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165823
1-(4-nitrophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295342
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
N,N-dimethyl-4-[1-(thian-4-ylmethylamino)ethyl]aniline
CID 115719880
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
1-(4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013394
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165903

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine (CID 107132261) is (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine is C[C@@H](NCC1CCSC1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is NKSUYUJRZMGRCS-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H18FNS/c1-10(12-2-4-13(14)5-3-12)15-8-11-6-7-16-9-11/h2-5,10-11,15H,6-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine?
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107132261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).