N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine

C15H19NOS — CID 43492338

IUPACN-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C15H19NOS/c1-2-16-15(13-7-5-9-17-13)12-10-18-14-8-4-3-6-11(12)14/h3-4,6,8,10,13,15-16H,2,5,7,9H2,1H3
InChIKeyRSBRQVZAJQBMMV-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.73
Rot. Bonds4

About N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine

N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine (PubChem CID 43492338) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine
PubChem CID43492338
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C15H19NOS/c1-2-16-15(13-7-5-9-17-13)12-10-18-14-8-4-3-6-11(12)14/h3-4,6,8,10,13,15-16H,2,5,7,9H2,1H3
InChIKeyRSBRQVZAJQBMMV-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine (CID 43492338) is N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine is CCNC(c1csc2ccccc12)C1CCCO1.
What is the InChIKey of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine?
The InChIKey is RSBRQVZAJQBMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-16-15(13-7-5-9-17-13)12-10-18-14-8-4-3-6-11(12)14/h3-4,6,8,10,13,15-16H,2,5,7,9H2,1H3.
What are the key properties of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine?
N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 43492338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).