1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

C15H17F2NS — CID 62346262

IUPAC1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CNC(C)c2c(F)cccc2F)s1
InChIInChI=1S/C15H17F2NS/c1-3-11-7-8-12(19-11)9-18-10(2)15-13(16)5-4-6-14(15)17/h4-8,10,18H,3,9H2,1-2H3
InChIKeyAZFHJWWJWLVRBJ-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.44
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 62346262) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID62346262
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC Name1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CNC(C)c2c(F)cccc2F)s1
InChIInChI=1S/C15H17F2NS/c1-3-11-7-8-12(19-11)9-18-10(2)15-13(16)5-4-6-14(15)17/h4-8,10,18H,3,9H2,1-2H3
InChIKeyAZFHJWWJWLVRBJ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 60945185
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
1-(2,6-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 114182910
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (CID 62346262) is 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is CCc1ccc(CNC(C)c2c(F)cccc2F)s1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is AZFHJWWJWLVRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-3-11-7-8-12(19-11)9-18-10(2)15-13(16)5-4-6-14(15)17/h4-8,10,18H,3,9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 281.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62346262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).