2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine

C13H14F2N2S — CID 66385737

IUPAC2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
SMILESCC(NCc1sccc1N)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2S/c1-8(10-3-2-9(14)6-11(10)15)17-7-13-12(16)4-5-18-13/h2-6,8,17H,7,16H2,1H3
InChIKeyRBQHLYPYUPGCDM-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.46
Rot. Bonds4

About 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine

2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine (PubChem CID 66385737) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
PubChem CID66385737
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
SMILESCC(NCc1sccc1N)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2S/c1-8(10-3-2-9(14)6-11(10)15)17-7-13-12(16)4-5-18-13/h2-6,8,17H,7,16H2,1H3
InChIKeyRBQHLYPYUPGCDM-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 60713896
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66385806
2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66386508
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine (CID 66385737) is 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine is CC(NCc1sccc1N)c1ccc(F)cc1F.
What is the InChIKey of 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine?
The InChIKey is RBQHLYPYUPGCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8(10-3-2-9(14)6-11(10)15)17-7-13-12(16)4-5-18-13/h2-6,8,17H,7,16H2,1H3.
What are the key properties of 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine?
2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine has a molecular weight of 268.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).