1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine

C14H16FNS — CID 102830555

IUPAC1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine
SMILESCc1sccc1C(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C14H16FNS/c1-10-13(6-7-17-10)14(2,16)9-11-4-3-5-12(15)8-11/h3-8H,9,16H2,1-2H3
InChIKeyPPLLMXLIHYFENE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.61
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine

1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine (PubChem CID 102830555) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine
PubChem CID102830555
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine
SMILESCc1sccc1C(C)(N)Cc1cccc(F)c1
InChIInChI=1S/C14H16FNS/c1-10-13(6-7-17-10)14(2,16)9-11-4-3-5-12(15)8-11/h3-8H,9,16H2,1-2H3
InChIKeyPPLLMXLIHYFENE-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine
CID 114833985
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
1-(3-fluorophenyl)-2-(2-methoxy-4,6-dimethylphenyl)propan-2-amine
CID 106679885
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833839
2-(5-fluoro-2-methylphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833350

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine (CID 102830555) is 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine is Cc1sccc1C(C)(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine?
The InChIKey is PPLLMXLIHYFENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-10-13(6-7-17-10)14(2,16)9-11-4-3-5-12(15)8-11/h3-8H,9,16H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine?
1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methylthiophen-3-yl)propan-2-amine is sourced from PubChem (CID 102830555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).