(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine

C14H15F2NS — CID 81398184

IUPAC(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(N[C@H](C)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2NS/c1-9(13-7-4-8-18-13)17-10(2)14-11(15)5-3-6-12(14)16/h3-10,17H,1-2H3/t9-,10?/m1/s1
InChIKeyNAMANDIXBSWAEG-YHMJZVADSA-N
MW267.34 g/mol
LogP4.44
Rot. Bonds4

About (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine

(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 81398184) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID81398184
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(N[C@H](C)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2NS/c1-9(13-7-4-8-18-13)17-10(2)14-11(15)5-3-6-12(14)16/h3-10,17H,1-2H3/t9-,10?/m1/s1
InChIKeyNAMANDIXBSWAEG-YHMJZVADSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol
CID 107715315
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 43399529
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine (CID 81398184) is (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine is CC(N[C@H](C)c1cccs1)c1c(F)cccc1F.
What is the InChIKey of (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is NAMANDIXBSWAEG-YHMJZVADSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-9(13-7-4-8-18-13)17-10(2)14-11(15)5-3-6-12(14)16/h3-10,17H,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine?
(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 267.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).