(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

C13H13F2NO2S — CID 81126581

IUPAC(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2sccc2OC)c(F)c1
InChIInChI=1S/C13H13F2NO2S/c1-17-7-5-8(14)11(9(15)6-7)12(16)13-10(18-2)3-4-19-13/h3-6,12H,16H2,1-2H3
InChIKeyMMVKJCTYIJCDMA-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.09
Rot. Bonds4

About (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 81126581) has the molecular formula C13H13F2NO2S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID81126581
Molecular FormulaC13H13F2NO2S
Molecular Weight285.32 g/mol
Exact Mass285.06
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2sccc2OC)c(F)c1
InChIInChI=1S/C13H13F2NO2S/c1-17-7-5-8(14)11(9(15)6-7)12(16)13-10(18-2)3-4-19-13/h3-6,12H,16H2,1-2H3
InChIKeyMMVKJCTYIJCDMA-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

(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
CID 115791862
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
2-[chloro-(3,4-difluorophenyl)methyl]-3-methoxythiophene
CID 81124018
(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-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene
CID 81124184
(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81473921

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (CID 81126581) is (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine is COc1cc(F)c(C(N)c2sccc2OC)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is MMVKJCTYIJCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2S/c1-17-7-5-8(14)11(9(15)6-7)12(16)13-10(18-2)3-4-19-13/h3-6,12H,16H2,1-2H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
(2,6-difluoro-4-methoxyphenyl)-(3-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)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81126581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).