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

C15H17ClFNS — CID 63400821

IUPAC1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C15H17ClFNS/c1-3-13(18-4-2)15-8-7-14(19-15)10-5-6-11(16)12(17)9-10/h5-9,13,18H,3-4H2,1-2H3
InChIKeyPCLHJHDYZOOYPE-UHFFFAOYSA-N
MW297.83 g/mol
LogP5.27
Rot. Bonds5

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

1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine (PubChem CID 63400821) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
PubChem CID63400821
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C15H17ClFNS/c1-3-13(18-4-2)15-8-7-14(19-15)10-5-6-11(16)12(17)9-10/h5-9,13,18H,3-4H2,1-2H3
InChIKeyPCLHJHDYZOOYPE-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.83
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 107577037
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-N-methylpropan-1-amine
CID 43288150
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 43288275
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-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287778
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 61470195
[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 54955892
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
CID 107622673

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine (CID 63400821) is 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The InChIKey is PCLHJHDYZOOYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-3-13(18-4-2)15-8-7-14(19-15)10-5-6-11(16)12(17)9-10/h5-9,13,18H,3-4H2,1-2H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 63400821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).