1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine

C13H13ClFNS — CID 62621992

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFNS/c1-13(16,8-11-6-7-12(14)17-11)9-2-4-10(15)5-3-9/h2-7H,8,16H2,1H3
InChIKeyRAQBZWSGTUDLOG-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.96
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine

1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine (PubChem CID 62621992) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine
PubChem CID62621992
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFNS/c1-13(16,8-11-6-7-12(14)17-11)9-2-4-10(15)5-3-9/h2-7H,8,16H2,1H3
InChIKeyRAQBZWSGTUDLOG-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine (CID 62621992) is 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine is CC(N)(Cc1ccc(Cl)s1)c1ccc(F)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine?
The InChIKey is RAQBZWSGTUDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-13(16,8-11-6-7-12(14)17-11)9-2-4-10(15)5-3-9/h2-7H,8,16H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine?
1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62621992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).