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

C8H12ClNOS — CID 114748619

IUPAC[2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine
SMILESCOCc1sc(Cl)c(CN)c1C
InChIInChI=1S/C8H12ClNOS/c1-5-6(3-10)8(9)12-7(5)4-11-2/h3-4,10H2,1-2H3
InChIKeyJVDLINYUSFXUFU-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.32
Rot. Bonds3

About [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine

[2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine (PubChem CID 114748619) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine
PubChem CID114748619
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name[2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine
SMILESCOCc1sc(Cl)c(CN)c1C
InChIInChI=1S/C8H12ClNOS/c1-5-6(3-10)8(9)12-7(5)4-11-2/h3-4,10H2,1-2H3
InChIKeyJVDLINYUSFXUFU-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine
CID 130913790
(2-chloro-4-methyl-5-pentylthiophen-3-yl)methanamine
CID 114748609
[2-chloro-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]methanamine
CID 114748563
2-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62923064
[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine
CID 114378169
[4-(methoxymethyl)thiophen-3-yl]methanamine
CID 82415876
5-(methoxymethyl)-2,4-dimethyl-1,3-thiazole
CID 58826708
1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene
CID 12721344
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one
CID 114361603

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine?
The IUPAC name of [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine (CID 114748619) is [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine.
What is the SMILES notation for [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine?
The canonical SMILES for [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine is COCc1sc(Cl)c(CN)c1C.
What is the InChIKey of [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine?
The InChIKey is JVDLINYUSFXUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-5-6(3-10)8(9)12-7(5)4-11-2/h3-4,10H2,1-2H3.
What are the key properties of [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine?
[2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine has a molecular weight of 205.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine is sourced from PubChem (CID 114748619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).