[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine

C13H14ClNOS — CID 82487476

IUPAC[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(-c2c(CN)csc2C)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-8-13(10(6-15)7-17-8)9-3-4-12(16-2)11(14)5-9/h3-5,7H,6,15H2,1-2H3
InChIKeyCKVQZRQGAHCAJC-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.84
Rot. Bonds3

About [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine

[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine (PubChem CID 82487476) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
PubChem CID82487476
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(-c2c(CN)csc2C)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-8-13(10(6-15)7-17-8)9-3-4-12(16-2)11(14)5-9/h3-5,7H,6,15H2,1-2H3
InChIKeyCKVQZRQGAHCAJC-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487477
[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98019625
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98021222
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
CID 82303495
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
The IUPAC name of [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine (CID 82487476) is [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine.
What is the SMILES notation for [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
The canonical SMILES for [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine is COc1ccc(-c2c(CN)csc2C)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
The InChIKey is CKVQZRQGAHCAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8-13(10(6-15)7-17-8)9-3-4-12(16-2)11(14)5-9/h3-5,7H,6,15H2,1-2H3.
What are the key properties of [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine has a molecular weight of 267.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine is sourced from PubChem (CID 82487476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).