2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol

C16H25NO2 — CID 114492127

IUPAC2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
SMILESCCC(C)(O)COc1cccc2c1CCCC2NC
InChIInChI=1S/C16H25NO2/c1-4-16(2,18)11-19-15-10-6-7-12-13(15)8-5-9-14(12)17-3/h6-7,10,14,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyIKSDNHIGUGFMNL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds5

About 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol

2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol (PubChem CID 114492127) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
PubChem CID114492127
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
SMILESCCC(C)(O)COc1cccc2c1CCCC2NC
InChIInChI=1S/C16H25NO2/c1-4-16(2,18)11-19-15-10-6-7-12-13(15)8-5-9-14(12)17-3/h6-7,10,14,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyIKSDNHIGUGFMNL-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol?
The IUPAC name of 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol (CID 114492127) is 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol is CCC(C)(O)COc1cccc2c1CCCC2NC.
What is the InChIKey of 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol?
The InChIKey is IKSDNHIGUGFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(2,18)11-19-15-10-6-7-12-13(15)8-5-9-14(12)17-3/h6-7,10,14,17-18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol?
2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol is sourced from PubChem (CID 114492127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).