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

C17H19NO2S — CID 79205776

IUPAC[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC1CSc2ccccc21
InChIInChI=1S/C17H19NO2S/c1-19-15-7-6-12(9-18)8-16(15)20-10-13-11-21-17-5-3-2-4-14(13)17/h2-8,13H,9-11,18H2,1H3
InChIKeyIDMIDIQJNUKZAD-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.42
Rot. Bonds5

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

[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine (PubChem CID 79205776) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
PubChem CID79205776
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC1CSc2ccccc21
InChIInChI=1S/C17H19NO2S/c1-19-15-7-6-12(9-18)8-16(15)20-10-13-11-21-17-5-3-2-4-14(13)17/h2-8,13H,9-11,18H2,1H3
InChIKeyIDMIDIQJNUKZAD-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-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679
[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205890
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine
CID 107700163
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
3-chloro-4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)benzenecarbothioamide
CID 79206503
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-methylbenzoic acid
CID 79205566

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine (CID 79205776) is [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1OCC1CSc2ccccc21.
What is the InChIKey of [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
The InChIKey is IDMIDIQJNUKZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-19-15-7-6-12(9-18)8-16(15)20-10-13-11-21-17-5-3-2-4-14(13)17/h2-8,13H,9-11,18H2,1H3.
What are the key properties of [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine?
[3-(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 [3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 79205776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).