1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine

C15H17ClFNS — CID 103048591

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(Cc1cccs1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFNS/c1-2-18-13(10-14-4-3-7-19-14)9-11-8-12(16)5-6-15(11)17/h3-8,13,18H,2,9-10H2,1H3
InChIKeyRJPQPFSOMXMEBE-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.30
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine

1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 103048591) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
PubChem CID103048591
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(Cc1cccs1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFNS/c1-2-18-13(10-14-4-3-7-19-14)9-11-8-12(16)5-6-15(11)17/h3-8,13,18H,2,9-10H2,1H3
InChIKeyRJPQPFSOMXMEBE-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine (CID 103048591) is 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine is CCNC(Cc1cccs1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is RJPQPFSOMXMEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-2-18-13(10-14-4-3-7-19-14)9-11-8-12(16)5-6-15(11)17/h3-8,13,18H,2,9-10H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 103048591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).