1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol

C14H21NO2 — CID 114249414

IUPAC1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol
SMILESCC(C)C(O)COc1cccc2c1CCC2N
InChIInChI=1S/C14H21NO2/c1-9(2)13(16)8-17-14-5-3-4-10-11(14)6-7-12(10)15/h3-5,9,12-13,16H,6-8,15H2,1-2H3
InChIKeyOTUYTKIYZMAWTK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds4

About 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol

1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol (PubChem CID 114249414) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol
PubChem CID114249414
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol
SMILESCC(C)C(O)COc1cccc2c1CCC2N
InChIInChI=1S/C14H21NO2/c1-9(2)13(16)8-17-14-5-3-4-10-11(14)6-7-12(10)15/h3-5,9,12-13,16H,6-8,15H2,1-2H3
InChIKeyOTUYTKIYZMAWTK-UHFFFAOYSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol?
The IUPAC name of 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol (CID 114249414) is 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol is CC(C)C(O)COc1cccc2c1CCC2N.
What is the InChIKey of 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol?
The InChIKey is OTUYTKIYZMAWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)13(16)8-17-14-5-3-4-10-11(14)6-7-12(10)15/h3-5,9,12-13,16H,6-8,15H2,1-2H3.
What are the key properties of 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol?
1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol is sourced from PubChem (CID 114249414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).