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

C14H16FNO2S — CID 55124874

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2sccc2C)cc1OC
InChIInChI=1S/C14H16FNO2S/c1-8-4-5-19-14(8)13(16)9-6-11(17-2)12(18-3)7-10(9)15/h4-7,13H,16H2,1-3H3
InChIKeyBWRCLROLWICCFF-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.26
Rot. Bonds4

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

(2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 55124874) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID55124874
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2sccc2C)cc1OC
InChIInChI=1S/C14H16FNO2S/c1-8-4-5-19-14(8)13(16)9-6-11(17-2)12(18-3)7-10(9)15/h4-7,13H,16H2,1-3H3
InChIKeyBWRCLROLWICCFF-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.26
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)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine (CID 55124874) is (2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine is COc1cc(F)c(C(N)c2sccc2C)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is BWRCLROLWICCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-8-4-5-19-14(8)13(16)9-6-11(17-2)12(18-3)7-10(9)15/h4-7,13H,16H2,1-3H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine?
(2-fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 281.35 g/mol, XLogP of 3.26, 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)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 55124874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).