1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine

C13H13F2NOS — CID 54986533

IUPAC1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2c(F)cc(OC)cc2F)c1
InChIInChI=1S/C13H13F2NOS/c1-16-6-8-3-12(18-7-8)13-10(14)4-9(17-2)5-11(13)15/h3-5,7,16H,6H2,1-2H3
InChIKeyYHRDSQGUDINRKR-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.42
Rot. Bonds4

About 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine

1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine (PubChem CID 54986533) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine
PubChem CID54986533
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2c(F)cc(OC)cc2F)c1
InChIInChI=1S/C13H13F2NOS/c1-16-6-8-3-12(18-7-8)13-10(14)4-9(17-2)5-11(13)15/h3-5,7,16H,6H2,1-2H3
InChIKeyYHRDSQGUDINRKR-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine (CID 54986533) is 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine is CNCc1csc(-c2c(F)cc(OC)cc2F)c1.
What is the InChIKey of 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine?
The InChIKey is YHRDSQGUDINRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c1-16-6-8-3-12(18-7-8)13-10(14)4-9(17-2)5-11(13)15/h3-5,7,16H,6H2,1-2H3.
What are the key properties of 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine?
1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine has a molecular weight of 269.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluoro-4-methoxyphenyl)thiophen-3-yl]-N-methylmethanamine is sourced from PubChem (CID 54986533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).