2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol

C13H21NO2 — CID 117320726

IUPAC2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1ccc(O)c(C(O)CN)c1
InChIInChI=1S/C13H21NO2/c1-13(2,3)7-9-4-5-11(15)10(6-9)12(16)8-14/h4-6,12,15-16H,7-8,14H2,1-3H3
InChIKeyOUFNEOLGGKCJBK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol

2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol (PubChem CID 117320726) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol
PubChem CID117320726
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1ccc(O)c(C(O)CN)c1
InChIInChI=1S/C13H21NO2/c1-13(2,3)7-9-4-5-11(15)10(6-9)12(16)8-14/h4-6,12,15-16H,7-8,14H2,1-3H3
InChIKeyOUFNEOLGGKCJBK-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol (CID 117320726) is 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol is CC(C)(C)Cc1ccc(O)c(C(O)CN)c1.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol?
The InChIKey is OUFNEOLGGKCJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)7-9-4-5-11(15)10(6-9)12(16)8-14/h4-6,12,15-16H,7-8,14H2,1-3H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol?
2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol has a molecular weight of 223.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 117320726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).