N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine

C14H16FNS — CID 75832967

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccccc1F
InChIInChI=1S/C14H16FNS/c1-11(14-8-5-9-17-14)16(2)10-12-6-3-4-7-13(12)15/h3-9,11H,10H2,1-2H3
InChIKeyILJURFLUFATYHJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.08
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine

N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 75832967) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID75832967
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccccc1F
InChIInChI=1S/C14H16FNS/c1-11(14-8-5-9-17-14)16(2)10-12-6-3-4-7-13(12)15/h3-9,11H,10H2,1-2H3
InChIKeyILJURFLUFATYHJ-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 75832967) is N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is ILJURFLUFATYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-11(14-8-5-9-17-14)16(2)10-12-6-3-4-7-13(12)15/h3-9,11H,10H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 249.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 75832967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).