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

C12H19NO2 — CID 114764205

IUPAC2-amino-3-(3,3-dimethylbutoxy)phenol
SMILESCC(C)(C)CCOc1cccc(O)c1N
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-8-15-10-6-4-5-9(14)11(10)13/h4-6,14H,7-8,13H2,1-3H3
InChIKeyBCMRNSJVXAPHBP-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.79
Rot. Bonds3

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

2-amino-3-(3,3-dimethylbutoxy)phenol (PubChem CID 114764205) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-3-(3,3-dimethylbutoxy)phenol.

Molecular Properties

Compound Name2-amino-3-(3,3-dimethylbutoxy)phenol
PubChem CID114764205
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-amino-3-(3,3-dimethylbutoxy)phenol
SMILESCC(C)(C)CCOc1cccc(O)c1N
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-8-15-10-6-4-5-9(14)11(10)13/h4-6,14H,7-8,13H2,1-3H3
InChIKeyBCMRNSJVXAPHBP-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
2-amino-3-(3,3-dimethylbutoxy)benzoic acid
CID 115547343
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
CID 114764222
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-amino-3-(2,2-difluoroethoxy)phenol
CID 114764343
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854
2-amino-3-[(4-methylphenyl)methoxy]phenol
CID 114764418

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,3-dimethylbutoxy)phenol?
The IUPAC name of 2-amino-3-(3,3-dimethylbutoxy)phenol (CID 114764205) is 2-amino-3-(3,3-dimethylbutoxy)phenol.
What is the SMILES notation for 2-amino-3-(3,3-dimethylbutoxy)phenol?
The canonical SMILES for 2-amino-3-(3,3-dimethylbutoxy)phenol is CC(C)(C)CCOc1cccc(O)c1N.
What is the InChIKey of 2-amino-3-(3,3-dimethylbutoxy)phenol?
The InChIKey is BCMRNSJVXAPHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)7-8-15-10-6-4-5-9(14)11(10)13/h4-6,14H,7-8,13H2,1-3H3.
What are the key properties of 2-amino-3-(3,3-dimethylbutoxy)phenol?
2-amino-3-(3,3-dimethylbutoxy)phenol has a molecular weight of 209.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,3-dimethylbutoxy)phenol is sourced from PubChem (CID 114764205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).