1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine

C16H19ClFNS — CID 107530684

IUPAC1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(-c2cc(F)ccc2Cl)s1)C(C)C
InChIInChI=1S/C16H19ClFNS/c1-4-19-16(10(2)3)15-8-7-14(20-15)12-9-11(18)5-6-13(12)17/h5-10,16,19H,4H2,1-3H3
InChIKeySPJQFYSCHGZIQQ-UHFFFAOYSA-N
MW311.85 g/mol
LogP5.51
Rot. Bonds5

About 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine

1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 107530684) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
PubChem CID107530684
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(-c2cc(F)ccc2Cl)s1)C(C)C
InChIInChI=1S/C16H19ClFNS/c1-4-19-16(10(2)3)15-8-7-14(20-15)12-9-11(18)5-6-13(12)17/h5-10,16,19H,4H2,1-3H3
InChIKeySPJQFYSCHGZIQQ-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.85
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 107530688
1-[5-(4-bromo-2,5-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 107615065
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 63400861
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288186
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056
1-[5-(2-bromo-4-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81279710
N-ethyl-2-methyl-1-(5-pyridin-3-ylthiophen-2-yl)propan-1-amine
CID 107586196
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43154322
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine (CID 107530684) is 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine is CCNC(c1ccc(-c2cc(F)ccc2Cl)s1)C(C)C.
What is the InChIKey of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is SPJQFYSCHGZIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-4-19-16(10(2)3)15-8-7-14(20-15)12-9-11(18)5-6-13(12)17/h5-10,16,19H,4H2,1-3H3.
What are the key properties of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 311.85 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 107530684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).