N-[1-(4-fluorophenyl)propyl]thiophen-3-amine

C13H14FNS — CID 66350122

IUPACN-[1-(4-fluorophenyl)propyl]thiophen-3-amine
SMILESCCC(Nc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNS/c1-2-13(15-12-7-8-16-9-12)10-3-5-11(14)6-4-10/h3-9,13,15H,2H2,1H3
InChIKeyPBHBLWLLNUADCR-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.45
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]thiophen-3-amine

N-[1-(4-fluorophenyl)propyl]thiophen-3-amine (PubChem CID 66350122) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]thiophen-3-amine
PubChem CID66350122
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC NameN-[1-(4-fluorophenyl)propyl]thiophen-3-amine
SMILESCCC(Nc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNS/c1-2-13(15-12-7-8-16-9-12)10-3-5-11(14)6-4-10/h3-9,13,15H,2H2,1H3
InChIKeyPBHBLWLLNUADCR-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
CID 61473211
N-[1-(4-chlorophenyl)butyl]thiophen-3-amine
CID 66352085
1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol
CID 66349964
6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
CID 114051614
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
CID 43672253
2-(4-fluoroanilino)-2-thiophen-3-ylethanol
CID 61050355
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
N-[1-(4-fluorophenyl)propyl]-1,3-benzodioxol-5-amine
CID 43196975

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]thiophen-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]thiophen-3-amine (CID 66350122) is N-[1-(4-fluorophenyl)propyl]thiophen-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]thiophen-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]thiophen-3-amine is CCC(Nc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]thiophen-3-amine?
The InChIKey is PBHBLWLLNUADCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-2-13(15-12-7-8-16-9-12)10-3-5-11(14)6-4-10/h3-9,13,15H,2H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]thiophen-3-amine?
N-[1-(4-fluorophenyl)propyl]thiophen-3-amine has a molecular weight of 235.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]thiophen-3-amine is sourced from PubChem (CID 66350122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).