1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine

C14H20FNS — CID 112634293

IUPAC1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCS1)c1ccccc1F
InChIInChI=1S/C14H20FNS/c1-2-14(12-7-3-4-8-13(12)15)16-10-11-6-5-9-17-11/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3
InChIKeyUVGABVOYCACDDG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine

1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine (PubChem CID 112634293) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
PubChem CID112634293
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCS1)c1ccccc1F
InChIInChI=1S/C14H20FNS/c1-2-14(12-7-3-4-8-13(12)15)16-10-11-6-5-9-17-11/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3
InChIKeyUVGABVOYCACDDG-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine
CID 99717553
1-(3-bromophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585210
1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
CID 80584230
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
1-phenyl-N-(thiolan-2-ylmethyl)hexan-1-amine
CID 80584364
4-[1-(thian-2-ylmethylamino)propyl]phenol
CID 80601142
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80596152
N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115727693
N-(thian-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 80601126
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine (CID 112634293) is 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine is CCC(NCC1CCCS1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine?
The InChIKey is UVGABVOYCACDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-2-14(12-7-3-4-8-13(12)15)16-10-11-6-5-9-17-11/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine?
1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 112634293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).