2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine

C12H13FN2S — CID 66387899

IUPAC2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-9(2-4-10)7-15-8-12-11(14)5-6-16-12/h1-6,15H,7-8,14H2
InChIKeyYCHNZJZTHHIEHK-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.76
Rot. Bonds4

About 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine

2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine (PubChem CID 66387899) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
PubChem CID66387899
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-9(2-4-10)7-15-8-12-11(14)5-6-16-12/h1-6,15H,7-8,14H2
InChIKeyYCHNZJZTHHIEHK-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine (CID 66387899) is 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCc1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine?
The InChIKey is YCHNZJZTHHIEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-10-3-1-9(2-4-10)7-15-8-12-11(14)5-6-16-12/h1-6,15H,7-8,14H2.
What are the key properties of 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine?
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine has a molecular weight of 236.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).