1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine

C16H19F2NS — CID 63400861

IUPAC1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(-c2cccc(F)c2F)s1)C(C)C
InChIInChI=1S/C16H19F2NS/c1-4-19-16(10(2)3)14-9-8-13(20-14)11-6-5-7-12(17)15(11)18/h5-10,16,19H,4H2,1-3H3
InChIKeyXLTWTNHJUNCCIG-UHFFFAOYSA-N
MW295.40 g/mol
LogP5.00
Rot. Bonds5

About 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine

1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 63400861) has the molecular formula C16H19F2NS and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
PubChem CID63400861
Molecular FormulaC16H19F2NS
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(-c2cccc(F)c2F)s1)C(C)C
InChIInChI=1S/C16H19F2NS/c1-4-19-16(10(2)3)14-9-8-13(20-14)11-6-5-7-12(17)15(11)18/h5-10,16,19H,4H2,1-3H3
InChIKeyXLTWTNHJUNCCIG-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromo-2,5-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 107615065
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 107530684
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
N-ethyl-2-methyl-1-(5-pyridin-3-ylthiophen-2-yl)propan-1-amine
CID 107586196
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 62965296
N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
CID 43287447
1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one
CID 61077384
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 114260892
1-[5-(3-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154483
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114260897
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine (CID 63400861) is 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine is CCNC(c1ccc(-c2cccc(F)c2F)s1)C(C)C.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is XLTWTNHJUNCCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NS/c1-4-19-16(10(2)3)14-9-8-13(20-14)11-6-5-7-12(17)15(11)18/h5-10,16,19H,4H2,1-3H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine?
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 63400861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).