1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol

C14H21NO2 — CID 64814616

IUPAC1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO2/c1-14(16,10-15)7-8-17-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,16H,2-4,7-8,10,15H2,1H3
InChIKeyYIHGJZKSEKNFAN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds5

About 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol

1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol (PubChem CID 64814616) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
PubChem CID64814616
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO2/c1-14(16,10-15)7-8-17-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,16H,2-4,7-8,10,15H2,1H3
InChIKeyYIHGJZKSEKNFAN-UHFFFAOYSA-N
XLogP1.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol
CID 106811489
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 64819436
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810807
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine
CID 28918603
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol (CID 64814616) is 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol is CC(O)(CN)CCOc1ccc2c(c1)CCC2.
What is the InChIKey of 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol?
The InChIKey is YIHGJZKSEKNFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(16,10-15)7-8-17-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,16H,2-4,7-8,10,15H2,1H3.
What are the key properties of 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol?
1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol is sourced from PubChem (CID 64814616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).