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

C15H18FNO2S — CID 65238897

IUPAC(4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(C)c(C)s2)cc1OC
InChIInChI=1S/C15H18FNO2S/c1-8-5-14(20-9(8)2)15(17)10-6-12(18-3)13(19-4)7-11(10)16/h5-7,15H,17H2,1-4H3
InChIKeySKCAXPJGBPHSDH-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.57
Rot. Bonds4

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

(4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 65238897) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID65238897
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name(4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(C)c(C)s2)cc1OC
InChIInChI=1S/C15H18FNO2S/c1-8-5-14(20-9(8)2)15(17)10-6-12(18-3)13(19-4)7-11(10)16/h5-7,15H,17H2,1-4H3
InChIKeySKCAXPJGBPHSDH-UHFFFAOYSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577
[2-(3,4-Dimethoxyphenyl)ethyl](thiophen-3-ylmethyl)amine
CID 4544980
1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(2-thienyl)isoquinoline
CID 2997669
2-(4-Methoxyphenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062038
7-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 11245156
7-[(3,4-dimethoxyphenyl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium iodide
CID 11328630
(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 7047638
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1814835
2-(3,4-dimethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 3155261
2-(4-Methoxyphenyl)-1-thiophen-2-ylethanamine
CID 3062039
7-(6-Fluoro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 14719578

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 65238897) is (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is COc1cc(F)c(C(N)c2cc(C)c(C)s2)cc1OC.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is SKCAXPJGBPHSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-8-5-14(20-9(8)2)15(17)10-6-12(18-3)13(19-4)7-11(10)16/h5-7,15H,17H2,1-4H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 295.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 65238897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).