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

C16H27NO2 — CID 107664252

IUPAC3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
SMILESCCC(C)c1ccc(OC(CO)C(N)C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-12(4)13-6-8-14(9-7-13)19-15(10-18)16(17)11(2)3/h6-9,11-12,15-16,18H,5,10,17H2,1-4H3
InChIKeyDSLDSPICKLTRFH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.92
Rot. Bonds7

About 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol

3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol (PubChem CID 107664252) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
PubChem CID107664252
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
SMILESCCC(C)c1ccc(OC(CO)C(N)C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-12(4)13-6-8-14(9-7-13)19-15(10-18)16(17)11(2)3/h6-9,11-12,15-16,18H,5,10,17H2,1-4H3
InChIKeyDSLDSPICKLTRFH-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 114357978
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
3-amino-2-(4-ethylphenoxy)pentan-1-ol
CID 104840555
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
CID 162050346
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
3-amino-2-(4-tert-butylphenoxy)-4,4-dimethylpentan-1-ol
CID 114357898
1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
CID 58900963
3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol (CID 107664252) is 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol is CCC(C)c1ccc(OC(CO)C(N)C(C)C)cc1.
What is the InChIKey of 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol?
The InChIKey is DSLDSPICKLTRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-12(4)13-6-8-14(9-7-13)19-15(10-18)16(17)11(2)3/h6-9,11-12,15-16,18H,5,10,17H2,1-4H3.
What are the key properties of 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol?
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol is sourced from PubChem (CID 107664252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).