4-(2-amino-3,3-dimethylbutoxy)phenol

C12H19NO2 — CID 117242306

IUPAC4-(2-amino-3,3-dimethylbutoxy)phenol
SMILESCC(C)(C)C(N)COc1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(13)8-15-10-6-4-9(14)5-7-10/h4-7,11,14H,8,13H2,1-3H3
InChIKeyRSOLCYQNAMGEIO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.14
Rot. Bonds3

About 4-(2-amino-3,3-dimethylbutoxy)phenol

4-(2-amino-3,3-dimethylbutoxy)phenol (PubChem CID 117242306) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-amino-3,3-dimethylbutoxy)phenol.

Molecular Properties

Compound Name4-(2-amino-3,3-dimethylbutoxy)phenol
PubChem CID117242306
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(2-amino-3,3-dimethylbutoxy)phenol
SMILESCC(C)(C)C(N)COc1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(13)8-15-10-6-4-9(14)5-7-10/h4-7,11,14H,8,13H2,1-3H3
InChIKeyRSOLCYQNAMGEIO-UHFFFAOYSA-N
XLogP2.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine
CID 62548208
2-[(4-hydroxyphenoxy)methyl]-3,3-dimethylbutanoic acid
CID 117242558
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
CID 43351797
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628
4-(2,3-difluorobutoxy)phenol
CID 67187369
1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine
CID 82027680

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3-dimethylbutoxy)phenol?
The IUPAC name of 4-(2-amino-3,3-dimethylbutoxy)phenol (CID 117242306) is 4-(2-amino-3,3-dimethylbutoxy)phenol.
What is the SMILES notation for 4-(2-amino-3,3-dimethylbutoxy)phenol?
The canonical SMILES for 4-(2-amino-3,3-dimethylbutoxy)phenol is CC(C)(C)C(N)COc1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-3,3-dimethylbutoxy)phenol?
The InChIKey is RSOLCYQNAMGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)11(13)8-15-10-6-4-9(14)5-7-10/h4-7,11,14H,8,13H2,1-3H3.
What are the key properties of 4-(2-amino-3,3-dimethylbutoxy)phenol?
4-(2-amino-3,3-dimethylbutoxy)phenol has a molecular weight of 209.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3-dimethylbutoxy)phenol is sourced from PubChem (CID 117242306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).