1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine

C15H21NOS — CID 102972175

IUPAC1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2cc(OC)ccc2c1C(C)(C)C
InChIInChI=1S/C15H21NOS/c1-15(2,3)14-11-7-6-10(17-5)8-12(11)18-13(14)9-16-4/h6-8,16H,9H2,1-5H3
InChIKeyLAFCRZOSYDZYRN-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine

1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 102972175) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID102972175
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2cc(OC)ccc2c1C(C)(C)C
InChIInChI=1S/C15H21NOS/c1-15(2,3)14-11-7-6-10(17-5)8-12(11)18-13(14)9-16-4/h6-8,16H,9H2,1-5H3
InChIKeyLAFCRZOSYDZYRN-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-tert-butyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)-N-methylmethanamine
CID 114378456
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
CID 131031026
N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972150
1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
CID 102972133
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 11326918
2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130969587
N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114377869
methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 54390123
N-[(5-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 81049277
1-[5,6-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378304
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine (CID 102972175) is 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1sc2cc(OC)ccc2c1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is LAFCRZOSYDZYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-15(2,3)14-11-7-6-10(17-5)8-12(11)18-13(14)9-16-4/h6-8,16H,9H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 102972175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).