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

C16H19ClFNS — CID 103048592

IUPAC1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1cccs1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFNS/c1-2-7-19-14(11-15-4-3-8-20-15)10-12-9-13(17)5-6-16(12)18/h3-6,8-9,14,19H,2,7,10-11H2,1H3
InChIKeyDRZZGQGABPYZQV-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.69
Rot. Bonds7

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

1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 103048592) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
PubChem CID103048592
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCNC(Cc1cccs1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFNS/c1-2-7-19-14(11-15-4-3-8-20-15)10-12-9-13(17)5-6-16(12)18/h3-6,8-9,14,19H,2,7,10-11H2,1H3
InChIKeyDRZZGQGABPYZQV-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.69
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-propyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine (CID 103048592) is 1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine is CCCNC(Cc1cccs1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is DRZZGQGABPYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-2-7-19-14(11-15-4-3-8-20-15)10-12-9-13(17)5-6-16(12)18/h3-6,8-9,14,19H,2,7,10-11H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 311.85 g/mol, XLogP of 4.69, 7 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-propyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 103048592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).