1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol

C15H25NO2 — CID 64815058

IUPAC1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-14(2,3)12-6-5-7-13(10-12)18-9-8-15(4,17)11-16/h5-7,10,17H,8-9,11,16H2,1-4H3
InChIKeyWSNDVFMEXQDSIU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.46
Rot. Bonds5

About 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol

1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol (PubChem CID 64815058) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
PubChem CID64815058
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-14(2,3)12-6-5-7-13(10-12)18-9-8-15(4,17)11-16/h5-7,10,17H,8-9,11,16H2,1-4H3
InChIKeyWSNDVFMEXQDSIU-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
CID 64814616
1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 64819436
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689
3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
CID 43169674

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol (CID 64815058) is 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol is CC(O)(CN)CCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
The InChIKey is WSNDVFMEXQDSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)12-6-5-7-13(10-12)18-9-8-15(4,17)11-16/h5-7,10,17H,8-9,11,16H2,1-4H3.
What are the key properties of 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol?
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 64815058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).