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

C11H10F2N2S — CID 66387497

IUPAC2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2S/c12-7-1-2-8(13)10(5-7)15-6-11-9(14)3-4-16-11/h1-5,15H,6,14H2
InChIKeySRBOEOPCNYGNPD-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.22
Rot. Bonds3

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

2-[(2,5-difluoroanilino)methyl]thiophen-3-amine (PubChem CID 66387497) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
PubChem CID66387497
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2S/c12-7-1-2-8(13)10(5-7)15-6-11-9(14)3-4-16-11/h1-5,15H,6,14H2
InChIKeySRBOEOPCNYGNPD-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66385806
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
CID 66387532
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
tert-butyl N-[3-[(3-aminothiophen-2-yl)methylamino]-4-fluorophenyl]carbamate
CID 107241046
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66387952
2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine
CID 115564219
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66385737
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
2-[(3,5-dichloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 107572996

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine (CID 66387497) is 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine is Nc1ccsc1CNc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine?
The InChIKey is SRBOEOPCNYGNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c12-7-1-2-8(13)10(5-7)15-6-11-9(14)3-4-16-11/h1-5,15H,6,14H2.
What are the key properties of 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine?
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine has a molecular weight of 240.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluoroanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66387497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).