N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine

C15H18FNS — CID 61078925

IUPACN-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C15H18FNS/c1-2-7-17-15(9-12-6-8-18-11-12)13-4-3-5-14(16)10-13/h3-6,8,10-11,15,17H,2,7,9H2,1H3
InChIKeyZBOLPRJVNGCRBH-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.17
Rot. Bonds6

About N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 61078925) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID61078925
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C15H18FNS/c1-2-7-17-15(9-12-6-8-18-11-12)13-4-3-5-14(16)10-13/h3-6,8,10-11,15,17H,2,7,9H2,1H3
InChIKeyZBOLPRJVNGCRBH-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 60819665
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 61078925) is N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is ZBOLPRJVNGCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-2-7-17-15(9-12-6-8-18-11-12)13-4-3-5-14(16)10-13/h3-6,8,10-11,15,17H,2,7,9H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 61078925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).