1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine

C16H20FNS — CID 112632384

IUPAC1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
SMILESCCC(NC(CC)c1ccccc1F)c1cccs1
InChIInChI=1S/C16H20FNS/c1-3-14(12-8-5-6-9-13(12)17)18-15(4-2)16-10-7-11-19-16/h5-11,14-15,18H,3-4H2,1-2H3
InChIKeyOBRHCAZZHASKGJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.08
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine

1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine (PubChem CID 112632384) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
PubChem CID112632384
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
SMILESCCC(NC(CC)c1ccccc1F)c1cccs1
InChIInChI=1S/C16H20FNS/c1-3-14(12-8-5-6-9-13(12)17)18-15(4-2)16-10-7-11-19-16/h5-11,14-15,18H,3-4H2,1-2H3
InChIKeyOBRHCAZZHASKGJ-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 112676995
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine
CID 112677046
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 43735017

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine (CID 112632384) is 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine is CCC(NC(CC)c1ccccc1F)c1cccs1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine?
The InChIKey is OBRHCAZZHASKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-3-14(12-8-5-6-9-13(12)17)18-15(4-2)16-10-7-11-19-16/h5-11,14-15,18H,3-4H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine?
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine is sourced from PubChem (CID 112632384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).