[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine

C17H19NO2S — CID 79205890

IUPAC[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCC2CSc3ccccc32)c1
InChIInChI=1S/C17H19NO2S/c1-19-14-7-6-12(9-18)16(8-14)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,13H,9-11,18H2,1H3
InChIKeyLOEBHFMDSBWWNC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.42
Rot. Bonds5

About [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine

[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine (PubChem CID 79205890) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
PubChem CID79205890
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCC2CSc3ccccc32)c1
InChIInChI=1S/C17H19NO2S/c1-19-14-7-6-12(9-18)16(8-14)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,13H,9-11,18H2,1H3
InChIKeyLOEBHFMDSBWWNC-UHFFFAOYSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205776
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine
CID 66394870
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
3-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
[3-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79224299
2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine
CID 107700163
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
3-[(4-methylsulfanylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403476

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine (CID 79205890) is [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(OCC2CSc3ccccc32)c1.
What is the InChIKey of [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
The InChIKey is LOEBHFMDSBWWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-19-14-7-6-12(9-18)16(8-14)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,13H,9-11,18H2,1H3.
What are the key properties of [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine has a molecular weight of 301.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 79205890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).