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

C13H13ClFNS — CID 62601964

IUPAC1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11H,7-8,16H2
InChIKeyJJROTMLYTJVVSF-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.65
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine (PubChem CID 62601964) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine
PubChem CID62601964
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11H,7-8,16H2
InChIKeyJJROTMLYTJVVSF-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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)-3-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine (CID 62601964) is 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine is NC(Cc1cccc(F)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine?
The InChIKey is JJROTMLYTJVVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11H,7-8,16H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine?
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 3.65, 4 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)-3-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62601964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).