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

C17H19NOS — CID 79211924

IUPAC1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCC1Cc2ccccc2S1
InChIInChI=1S/C17H19NOS/c1-18-11-14-7-2-4-8-16(14)19-12-15-10-13-6-3-5-9-17(13)20-15/h2-9,15,18H,10-12H2,1H3
InChIKeyDRIBNTIPJRPMPJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.50
Rot. Bonds5

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

1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 79211924) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID79211924
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCC1Cc2ccccc2S1
InChIInChI=1S/C17H19NOS/c1-18-11-14-7-2-4-8-16(14)19-12-15-10-13-6-3-5-9-17(13)20-15/h2-9,15,18H,10-12H2,1H3
InChIKeyDRIBNTIPJRPMPJ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79213878
2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403843
[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
CID 79222757
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 79222447
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79228546
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 106261413
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60565621
(1S)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanamine
CID 79212649
2-[(4-chloro-2,6-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403994
2-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 79211924) is 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccccc1OCC1Cc2ccccc2S1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is DRIBNTIPJRPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-18-11-14-7-2-4-8-16(14)19-12-15-10-13-6-3-5-9-17(13)20-15/h2-9,15,18H,10-12H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 285.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79211924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).