2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol

C12H19NO3 — CID 114764274

IUPAC2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
SMILESCC(C)(C)OCCOc1cccc(O)c1N
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-8-7-15-10-6-4-5-9(14)11(10)13/h4-6,14H,7-8,13H2,1-3H3
InChIKeyDJBCKWVKMLOVOK-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol

2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol (PubChem CID 114764274) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
PubChem CID114764274
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
SMILESCC(C)(C)OCCOc1cccc(O)c1N
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-8-7-15-10-6-4-5-9(14)11(10)13/h4-6,14H,7-8,13H2,1-3H3
InChIKeyDJBCKWVKMLOVOK-UHFFFAOYSA-N
XLogP2.17
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
CID 114764222
2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 114880008
(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzothiazol-4-amine
CID 112587112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol?
The IUPAC name of 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol (CID 114764274) is 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol.
What is the SMILES notation for 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol?
The canonical SMILES for 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol is CC(C)(C)OCCOc1cccc(O)c1N.
What is the InChIKey of 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol?
The InChIKey is DJBCKWVKMLOVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,3)16-8-7-15-10-6-4-5-9(14)11(10)13/h4-6,14H,7-8,13H2,1-3H3.
What are the key properties of 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol?
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol has a molecular weight of 225.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol is sourced from PubChem (CID 114764274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).