[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine

C13H17NOS — CID 114378169

IUPAC[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine
SMILESCOCc1c(CN)sc2cc(C)c(C)cc12
InChIInChI=1S/C13H17NOS/c1-8-4-10-11(7-15-3)13(6-14)16-12(10)5-9(8)2/h4-5H,6-7,14H2,1-3H3
InChIKeyLARKFMQXNDMDGX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.12
Rot. Bonds3

About [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine

[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine (PubChem CID 114378169) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine
PubChem CID114378169
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine
SMILESCOCc1c(CN)sc2cc(C)c(C)cc12
InChIInChI=1S/C13H17NOS/c1-8-4-10-11(7-15-3)13(6-14)16-12(10)5-9(8)2/h4-5H,6-7,14H2,1-3H3
InChIKeyLARKFMQXNDMDGX-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
CID 114378180
1-[5,6-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378304
(5,6-difluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 114378284
[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 114378325
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
N-[(3-ethyl-5,6-dimethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 104843331
(9-ethyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
CID 113459908
N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378175
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62445616
[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361662
(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 102972343

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine (CID 114378169) is [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine is COCc1c(CN)sc2cc(C)c(C)cc12.
What is the InChIKey of [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine?
The InChIKey is LARKFMQXNDMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-8-4-10-11(7-15-3)13(6-14)16-12(10)5-9(8)2/h4-5H,6-7,14H2,1-3H3.
What are the key properties of [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine?
[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 114378169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).