2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

C14H21NOS — CID 64661833

IUPAC2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(OC)ccc2SC1CC
InChIInChI=1S/C14H21NOS/c1-4-8-15-14-11-9-10(16-3)6-7-13(11)17-12(14)5-2/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyWQJMJFPIZVQNHJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.62
Rot. Bonds5

About 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 64661833) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID64661833
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(OC)ccc2SC1CC
InChIInChI=1S/C14H21NOS/c1-4-8-15-14-11-9-10(16-3)6-7-13(11)17-12(14)5-2/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyWQJMJFPIZVQNHJ-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 64661833) is 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCNC1c2cc(OC)ccc2SC1CC.
What is the InChIKey of 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is WQJMJFPIZVQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-8-15-14-11-9-10(16-3)6-7-13(11)17-12(14)5-2/h6-7,9,12,14-15H,4-5,8H2,1-3H3.
What are the key properties of 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 251.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 64661833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).