2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine

C16H19ClFNS — CID 62514552

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H19ClFNS/c1-2-19-11-13(10-15-6-7-16(17)20-15)8-12-4-3-5-14(18)9-12/h3-7,9,13,19H,2,8,10-11H2,1H3
InChIKeyQLTKFOYJDLIAKK-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.55
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine (PubChem CID 62514552) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
PubChem CID62514552
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H19ClFNS/c1-2-19-11-13(10-15-6-7-16(17)20-15)8-12-4-3-5-14(18)9-12/h3-7,9,13,19H,2,8,10-11H2,1H3
InChIKeyQLTKFOYJDLIAKK-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine (CID 62514552) is 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine is CCNCC(Cc1cccc(F)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is QLTKFOYJDLIAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-2-19-11-13(10-15-6-7-16(17)20-15)8-12-4-3-5-14(18)9-12/h3-7,9,13,19H,2,8,10-11H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 311.85 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62514552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).