2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol

C11H17NO3 — CID 84678506

IUPAC2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cccc(O)c1C(N)CO
InChIInChI=1S/C11H17NO3/c1-7(2)15-10-5-3-4-9(14)11(10)8(12)6-13/h3-5,7-8,13-14H,6,12H2,1-2H3
InChIKeyIPILTUXJASYFBZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.17
Rot. Bonds4

About 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol

2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol (PubChem CID 84678506) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol
PubChem CID84678506
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cccc(O)c1C(N)CO
InChIInChI=1S/C11H17NO3/c1-7(2)15-10-5-3-4-9(14)11(10)8(12)6-13/h3-5,7-8,13-14H,6,12H2,1-2H3
InChIKeyIPILTUXJASYFBZ-UHFFFAOYSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol 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-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524
2-(1-amino-2-hydroxyethyl)-3-methylsulfanylphenol
CID 117288815
2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
CID 117489330
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
3-amino-3-(2-methoxy-6-propan-2-yloxyphenyl)propanoic acid
CID 117385813
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
CID 171216328
2-(3-hydroxypropyl)-3-propan-2-yloxyphenol
CID 117300578
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol (CID 84678506) is 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol is CC(C)Oc1cccc(O)c1C(N)CO.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol?
The InChIKey is IPILTUXJASYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)15-10-5-3-4-9(14)11(10)8(12)6-13/h3-5,7-8,13-14H,6,12H2,1-2H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol?
2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol has a molecular weight of 211.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol is sourced from PubChem (CID 84678506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).