3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine

C13H13ClFNS — CID 79439952

IUPAC3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C13H13ClFNS/c14-13-6-5-10(17-13)7-9(8-16)11-3-1-2-4-12(11)15/h1-6,9H,7-8,16H2
InChIKeySGQNUWXGLNZWFG-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.83
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine

3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine (PubChem CID 79439952) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
PubChem CID79439952
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C13H13ClFNS/c14-13-6-5-10(17-13)7-9(8-16)11-3-1-2-4-12(11)15/h1-6,9H,7-8,16H2
InChIKeySGQNUWXGLNZWFG-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine (CID 79439952) is 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine is NCC(Cc1ccc(Cl)s1)c1ccccc1F.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
The InChIKey is SGQNUWXGLNZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c14-13-6-5-10(17-13)7-9(8-16)11-3-1-2-4-12(11)15/h1-6,9H,7-8,16H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine?
3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine has a molecular weight of 269.77 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79439952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).