2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol

C13H21NO2 — CID 117320731

IUPAC2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(O)CN)c1
InChIInChI=1S/C13H21NO2/c1-4-13(2,3)9-5-6-11(15)10(7-9)12(16)8-14/h5-7,12,15-16H,4,8,14H2,1-3H3
InChIKeyZRIMYDAPPWJDGV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol

2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol (PubChem CID 117320731) 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-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
PubChem CID117320731
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(O)CN)c1
InChIInChI=1S/C13H21NO2/c1-4-13(2,3)9-5-6-11(15)10(7-9)12(16)8-14/h5-7,12,15-16H,4,8,14H2,1-3H3
InChIKeyZRIMYDAPPWJDGV-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117343729
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117318683
4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol
CID 117320726
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
2-(1-aminoethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117377747
2-(2-amino-1-hydroxyethyl)-4-(1-fluoroethyl)phenol
CID 84668851

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol (CID 117320731) is 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1ccc(O)c(C(O)CN)c1.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol?
The InChIKey is ZRIMYDAPPWJDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(2,3)9-5-6-11(15)10(7-9)12(16)8-14/h5-7,12,15-16H,4,8,14H2,1-3H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol?
2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol has a molecular weight of 223.32 g/mol, XLogP of 2.07, 4 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-methylbutan-2-yl)phenol is sourced from PubChem (CID 117320731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).