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

C15H18FNO2S — CID 79985147

IUPAC(3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCCc1ccsc1C(N)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H18FNO2S/c1-4-9-5-6-20-15(9)14(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,14H,4,17H2,1-3H3
InChIKeyMRPAFMUEJOVRQY-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.51
Rot. Bonds5

About (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 79985147) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID79985147
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name(3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCCc1ccsc1C(N)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H18FNO2S/c1-4-9-5-6-20-15(9)14(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,14H,4,17H2,1-3H3
InChIKeyMRPAFMUEJOVRQY-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 (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 79985147) is (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is CCc1ccsc1C(N)c1cc(OC)c(OC)cc1F.
What is the InChIKey of (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is MRPAFMUEJOVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-4-9-5-6-20-15(9)14(17)10-7-12(18-2)13(19-3)8-11(10)16/h5-8,14H,4,17H2,1-3H3.
What are the key properties of (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(3-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 (3-ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 79985147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).