(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine

C13H13F2NO2S — CID 81126677

IUPAC(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2c(F)cc(OC)cc2F)c1
InChIInChI=1S/C13H13F2NO2S/c1-17-7-3-9(14)12(10(15)4-7)13(16)11-5-8(18-2)6-19-11/h3-6,13H,16H2,1-2H3
InChIKeyOIFMQXKPVBHOPT-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.09
Rot. Bonds4

About (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine

(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine (PubChem CID 81126677) has the molecular formula C13H13F2NO2S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
PubChem CID81126677
Molecular FormulaC13H13F2NO2S
Molecular Weight285.32 g/mol
Exact Mass285.06
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2c(F)cc(OC)cc2F)c1
InChIInChI=1S/C13H13F2NO2S/c1-17-7-3-9(14)12(10(15)4-7)13(16)11-5-8(18-2)6-19-11/h3-6,13H,16H2,1-2H3
InChIKeyOIFMQXKPVBHOPT-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
CID 105397471
(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126581
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
[(2,6-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105308168
(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81127508
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
CID 81121689

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine (CID 81126677) is (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine is COc1csc(C(N)c2c(F)cc(OC)cc2F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine?
The InChIKey is OIFMQXKPVBHOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2S/c1-17-7-3-9(14)12(10(15)4-7)13(16)11-5-8(18-2)6-19-11/h3-6,13H,16H2,1-2H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine?
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81126677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).