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

C16H17NOS — CID 79212641

IUPAC[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(OCC2Cc3ccccc3S2)c1
InChIInChI=1S/C16H17NOS/c17-10-12-4-3-6-14(8-12)18-11-15-9-13-5-1-2-7-16(13)19-15/h1-8,15H,9-11,17H2
InChIKeyIWTGFKSLNWJEPM-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.24
Rot. Bonds4

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

[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine (PubChem CID 79212641) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine
PubChem CID79212641
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine
SMILESNCc1cccc(OCC2Cc3ccccc3S2)c1
InChIInChI=1S/C16H17NOS/c17-10-12-4-3-6-14(8-12)18-11-15-9-13-5-1-2-7-16(13)19-15/h1-8,15H,9-11,17H2
InChIKeyIWTGFKSLNWJEPM-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403687
2-[[4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222684
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
2-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692846
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
2-bromo-5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)pyridine
CID 107396746
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol
CID 107719822
2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403843
2-[(4-chloro-2,6-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403994
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]propan-1-one
CID 79227434
2-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222007
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 107691791

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine (CID 79212641) is [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine is NCc1cccc(OCC2Cc3ccccc3S2)c1.
What is the InChIKey of [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine?
The InChIKey is IWTGFKSLNWJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c17-10-12-4-3-6-14(8-12)18-11-15-9-13-5-1-2-7-16(13)19-15/h1-8,15H,9-11,17H2.
What are the key properties of [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine?
[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine has a molecular weight of 271.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 79212641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).