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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Related Compounds

4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 55182206
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2-methylpropyl)acetamide
CID 63091712
4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 106450266
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455916
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
4-[(3-methoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 63091349
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopropylpropanamide
CID 63090463
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63091521

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).