1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine

C15H16Cl2FNS — CID 107577037

IUPAC1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(Cl)c(F)c(Cl)c2)s1
InChIInChI=1S/C15H16Cl2FNS/c1-3-12(19-4-2)14-6-5-13(20-14)9-7-10(16)15(18)11(17)8-9/h5-8,12,19H,3-4H2,1-2H3
InChIKeyDHCFKNVAJUZXOJ-UHFFFAOYSA-N
MW332.27 g/mol
LogP5.92
Rot. Bonds5

About 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine

1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine (PubChem CID 107577037) has the molecular formula C15H16Cl2FNS and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
PubChem CID107577037
Molecular FormulaC15H16Cl2FNS
Molecular Weight332.27 g/mol
Exact Mass331.04
IUPAC Name1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(Cl)c(F)c(Cl)c2)s1
InChIInChI=1S/C15H16Cl2FNS/c1-3-12(19-4-2)14-6-5-13(20-14)9-7-10(16)15(18)11(17)8-9/h5-8,12,19H,3-4H2,1-2H3
InChIKeyDHCFKNVAJUZXOJ-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-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

Related Compounds

1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 43288275
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 107806474
N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62635651
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-methylpropan-1-amine
CID 43288150
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287778
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine (CID 107577037) is 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2cc(Cl)c(F)c(Cl)c2)s1.
What is the InChIKey of 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The InChIKey is DHCFKNVAJUZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FNS/c1-3-12(19-4-2)14-6-5-13(20-14)9-7-10(16)15(18)11(17)8-9/h5-8,12,19H,3-4H2,1-2H3.
What are the key properties of 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine has a molecular weight of 332.27 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107577037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).