1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol

C16H27NO2 — CID 64814849

IUPAC1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
SMILESCCC(C)c1ccccc1OC(C)CC(C)(O)CN
InChIInChI=1S/C16H27NO2/c1-5-12(2)14-8-6-7-9-15(14)19-13(3)10-16(4,18)11-17/h6-9,12-13,18H,5,10-11,17H2,1-4H3
InChIKeyVTBNQXJGYKPNRE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.07
Rot. Bonds7

About 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol

1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol (PubChem CID 64814849) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
PubChem CID64814849
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
SMILESCCC(C)c1ccccc1OC(C)CC(C)(O)CN
InChIInChI=1S/C16H27NO2/c1-5-12(2)14-8-6-7-9-15(14)19-13(3)10-16(4,18)11-17/h6-9,12-13,18H,5,10-11,17H2,1-4H3
InChIKeyVTBNQXJGYKPNRE-UHFFFAOYSA-N
XLogP3.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
CID 64813156
4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707886
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804980
1-amino-2-methyl-4-phenoxypentan-2-ol
CID 64814843
4-(2-butan-2-ylphenoxy)-5,5-dimethylhexan-3-amine
CID 63456805
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
1-amino-2-methyl-4-(2-methylquinolin-8-yl)oxypentan-2-ol
CID 64812344
1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
CID 64814421
2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 114357978
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
CID 64813378

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol (CID 64814849) is 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol is CCC(C)c1ccccc1OC(C)CC(C)(O)CN.
What is the InChIKey of 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol?
The InChIKey is VTBNQXJGYKPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-12(2)14-8-6-7-9-15(14)19-13(3)10-16(4,18)11-17/h6-9,12-13,18H,5,10-11,17H2,1-4H3.
What are the key properties of 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol?
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 64814849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).