2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine

C14H15F2NS — CID 143154960

IUPAC2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine
SMILESCNCCc1cc(Cc2cc(F)ccc2F)cs1
InChIInChI=1S/C14H15F2NS/c1-17-5-4-13-7-10(9-18-13)6-11-8-12(15)2-3-14(11)16/h2-3,7-9,17H,4-6H2,1H3
InChIKeyQKZCZELYVOGFIL-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine

2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine (PubChem CID 143154960) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine
PubChem CID143154960
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine
SMILESCNCCc1cc(Cc2cc(F)ccc2F)cs1
InChIInChI=1S/C14H15F2NS/c1-17-5-4-13-7-10(9-18-13)6-11-8-12(15)2-3-14(11)16/h2-3,7-9,17H,4-6H2,1H3
InChIKeyQKZCZELYVOGFIL-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine (CID 143154960) is 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine is CNCCc1cc(Cc2cc(F)ccc2F)cs1.
What is the InChIKey of 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine?
The InChIKey is QKZCZELYVOGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-17-5-4-13-7-10(9-18-13)6-11-8-12(15)2-3-14(11)16/h2-3,7-9,17H,4-6H2,1H3.
What are the key properties of 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine?
2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine has a molecular weight of 267.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine is sourced from PubChem (CID 143154960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).