2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine

C16H25NO — CID 62353443

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-4-16(3,12-17-5-2)18-15-10-9-13-7-6-8-14(13)11-15/h9-11,17H,4-8,12H2,1-3H3
InChIKeyAPSQNCQOFWUMJQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine

2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine (PubChem CID 62353443) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine
PubChem CID62353443
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-4-16(3,12-17-5-2)18-15-10-9-13-7-6-8-14(13)11-15/h9-11,17H,4-8,12H2,1-3H3
InChIKeyAPSQNCQOFWUMJQ-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine (CID 62353443) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)(CC)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is APSQNCQOFWUMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(3,12-17-5-2)18-15-10-9-13-7-6-8-14(13)11-15/h9-11,17H,4-8,12H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 62353443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).