2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine

C12H12F2N2S — CID 66385806

IUPAC2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1cc(F)ccc1F
InChIInChI=1S/C12H12F2N2S/c13-9-1-2-10(14)8(5-9)6-16-7-12-11(15)3-4-17-12/h1-5,16H,6-7,15H2
InChIKeyWYVYRSFBABTKJH-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.90
Rot. Bonds4

About 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine

2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine (PubChem CID 66385806) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine
PubChem CID66385806
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1cc(F)ccc1F
InChIInChI=1S/C12H12F2N2S/c13-9-1-2-10(14)8(5-9)6-16-7-12-11(15)3-4-17-12/h1-5,16H,6-7,15H2
InChIKeyWYVYRSFBABTKJH-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
2-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-amine
CID 66387997
2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66385737
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine (CID 66385806) is 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCc1cc(F)ccc1F.
What is the InChIKey of 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine?
The InChIKey is WYVYRSFBABTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c13-9-1-2-10(14)8(5-9)6-16-7-12-11(15)3-4-17-12/h1-5,16H,6-7,15H2.
What are the key properties of 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine?
2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine has a molecular weight of 254.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).