(2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine

C13H14FNO2S — CID 62865504

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(F)c(C(N)c2ccsc2)cc1OC
InChIInChI=1S/C13H14FNO2S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3
InChIKeyKJOLQGUPYLHLDQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.95
Rot. Bonds4

About (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine

(2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 62865504) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID62865504
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1cc(F)c(C(N)c2ccsc2)cc1OC
InChIInChI=1S/C13H14FNO2S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3
InChIKeyKJOLQGUPYLHLDQ-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine (CID 62865504) is (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine is COc1cc(F)c(C(N)c2ccsc2)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is KJOLQGUPYLHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13H,15H2,1-2H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine?
(2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 267.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 62865504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).