N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine

C16H19NOS — CID 79315304

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccco1)CC1CSc2ccccc21
InChIInChI=1S/C16H19NOS/c1-2-17(11-14-6-5-9-18-14)10-13-12-19-16-8-4-3-7-15(13)16/h3-9,13H,2,10-12H2,1H3
InChIKeyBOQHVTPZECYSTI-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.99
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 79315304) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID79315304
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccco1)CC1CSc2ccccc21
InChIInChI=1S/C16H19NOS/c1-2-17(11-14-6-5-9-18-14)10-13-12-19-16-8-4-3-7-15(13)16/h3-9,13H,2,10-12H2,1H3
InChIKeyBOQHVTPZECYSTI-UHFFFAOYSA-N
XLogP3.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine (CID 79315304) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine is CCN(Cc1ccco1)CC1CSc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is BOQHVTPZECYSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-17(11-14-6-5-9-18-14)10-13-12-19-16-8-4-3-7-15(13)16/h3-9,13H,2,10-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 79315304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).