(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine

C12H10F3NOS — CID 81127367

IUPAC(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCOc1csc(C(N)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C12H10F3NOS/c1-17-7-4-10(18-5-7)12(16)11-8(14)2-6(13)3-9(11)15/h2-5,12H,16H2,1H3
InChIKeyXTRAUCPBDHGFCR-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.22
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine

(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 81127367) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID81127367
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCOc1csc(C(N)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C12H10F3NOS/c1-17-7-4-10(18-5-7)12(16)11-8(14)2-6(13)3-9(11)15/h2-5,12H,16H2,1H3
InChIKeyXTRAUCPBDHGFCR-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
CID 105397471
[(2,6-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105308168
(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81127508
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
CID 81129593
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
CID 81121689
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine (CID 81127367) is (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine is COc1csc(C(N)c2c(F)cc(F)cc2F)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is XTRAUCPBDHGFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-17-7-4-10(18-5-7)12(16)11-8(14)2-6(13)3-9(11)15/h2-5,12H,16H2,1H3.
What are the key properties of (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 273.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 81127367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).