1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine

C16H20FNS — CID 61473211

IUPAC1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNS/c1-3-16(14-4-6-15(17)7-5-14)18-12(2)10-13-8-9-19-11-13/h4-9,11-12,16,18H,3,10H2,1-2H3
InChIKeyMGYFJGGXQRFWKV-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.56
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine

1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine (PubChem CID 61473211) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
PubChem CID61473211
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNS/c1-3-16(14-4-6-15(17)7-5-14)18-12(2)10-13-8-9-19-11-13/h4-9,11-12,16,18H,3,10H2,1-2H3
InChIKeyMGYFJGGXQRFWKV-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
N-[1-(4-fluorophenyl)propyl]thiophen-3-amine
CID 66350122
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine (CID 61473211) is 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine is CCC(NC(C)Cc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine?
The InChIKey is MGYFJGGXQRFWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-3-16(14-4-6-15(17)7-5-14)18-12(2)10-13-8-9-19-11-13/h4-9,11-12,16,18H,3,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine?
1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 61473211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).