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

C15H25NO2 — CID 64802066

IUPAC2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
SMILESCC(N)(CO)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)12-5-7-13(8-6-12)18-10-9-15(4,16)11-17/h5-8,17H,9-11,16H2,1-4H3
InChIKeyXLPGVGNBDKUTNU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.46
Rot. Bonds5

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

2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol (PubChem CID 64802066) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
PubChem CID64802066
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
SMILESCC(N)(CO)CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)12-5-7-13(8-6-12)18-10-9-15(4,16)11-17/h5-8,17H,9-11,16H2,1-4H3
InChIKeyXLPGVGNBDKUTNU-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

Analyze 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
CID 64806676
4-(4-tert-butylphenoxy)-2,2-dimethylbutanethioamide
CID 65247667
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
2-amino-2-methyl-5-(4-methylsulfonylphenoxy)pentan-1-ol
CID 64807315
2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol
CID 66768430

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol (CID 64802066) is 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol is CC(N)(CO)CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol?
The InChIKey is XLPGVGNBDKUTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)12-5-7-13(8-6-12)18-10-9-15(4,16)11-17/h5-8,17H,9-11,16H2,1-4H3.
What are the key properties of 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol?
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-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 2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 64802066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).