(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine

C13H14FNOS — CID 102833497

IUPAC(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccsc2C)c(F)c1
InChIInChI=1S/C13H14FNOS/c1-8-10(5-6-17-8)13(15)11-4-3-9(16-2)7-12(11)14/h3-7,13H,15H2,1-2H3
InChIKeyZKHKFXGZXSODRD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.25
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine

(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102833497) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102833497
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccsc2C)c(F)c1
InChIInChI=1S/C13H14FNOS/c1-8-10(5-6-17-8)13(15)11-4-3-9(16-2)7-12(11)14/h3-7,13H,15H2,1-2H3
InChIKeyZKHKFXGZXSODRD-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 102840906

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine (CID 102833497) is (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine is COc1ccc(C(N)c2ccsc2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is ZKHKFXGZXSODRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-8-10(5-6-17-8)13(15)11-4-3-9(16-2)7-12(11)14/h3-7,13H,15H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine?
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102833497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).