(5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

C15H18FNO2S — CID 62866393

IUPAC(5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(OC)c(OC)cc2F)s1
InChIInChI=1S/C15H18FNO2S/c1-4-9-5-6-14(20-9)15(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,15H,4,17H2,1-3H3
InChIKeyOZPGJFICSFGHSQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.51
Rot. Bonds5

About (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 62866393) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID62866393
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name(5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(OC)c(OC)cc2F)s1
InChIInChI=1S/C15H18FNO2S/c1-4-9-5-6-14(20-9)15(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,15H,4,17H2,1-3H3
InChIKeyOZPGJFICSFGHSQ-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 62866393) is (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is CCc1ccc(C(N)c2cc(OC)c(OC)cc2F)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is OZPGJFICSFGHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-4-9-5-6-14(20-9)15(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,15H,4,17H2,1-3H3.
What are the key properties of (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 295.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 62866393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).