1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine

C16H17NOS — CID 141048003

IUPAC1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc2c(c1)CCS2
InChIInChI=1S/C16H17NOS/c1-17-11-13-4-2-3-5-15(13)18-14-6-7-16-12(10-14)8-9-19-16/h2-7,10,17H,8-9,11H2,1H3
InChIKeyOEZCGEWEKPRCIO-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.85
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine

1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine (PubChem CID 141048003) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine
PubChem CID141048003
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc2c(c1)CCS2
InChIInChI=1S/C16H17NOS/c1-17-11-13-4-2-3-5-15(13)18-14-6-7-16-12(10-14)8-9-19-16/h2-7,10,17H,8-9,11H2,1H3
InChIKeyOEZCGEWEKPRCIO-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine (CID 141048003) is 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ccc2c(c1)CCS2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is OEZCGEWEKPRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-17-11-13-4-2-3-5-15(13)18-14-6-7-16-12(10-14)8-9-19-16/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1-benzothiophen-5-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 271.38 g/mol, XLogP of 3.85, 4 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-5-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 141048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).