4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol

C16H19NO2 — CID 55111408

IUPAC4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol
SMILESCc1cc(C(O)C(N)c2ccccc2)cc(C)c1O
InChIInChI=1S/C16H19NO2/c1-10-8-13(9-11(2)15(10)18)16(19)14(17)12-6-4-3-5-7-12/h3-9,14,16,18-19H,17H2,1-2H3
InChIKeyGYZNJRNNRBDECU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.74
Rot. Bonds3

About 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol

4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol (PubChem CID 55111408) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol
PubChem CID55111408
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol
SMILESCc1cc(C(O)C(N)c2ccccc2)cc(C)c1O
InChIInChI=1S/C16H19NO2/c1-10-8-13(9-11(2)15(10)18)16(19)14(17)12-6-4-3-5-7-12/h3-9,14,16,18-19H,17H2,1-2H3
InChIKeyGYZNJRNNRBDECU-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
CID 145140633
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol
CID 115350271
cumene;bis(2,6-dimethyl-4-propan-2-ylphenol);4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 143666287
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
2-amino-2-(4-chlorophenyl)-1-(3-methylphenyl)ethanol
CID 123458575
2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
CID 83230882

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol?
The IUPAC name of 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol (CID 55111408) is 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol is Cc1cc(C(O)C(N)c2ccccc2)cc(C)c1O.
What is the InChIKey of 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol?
The InChIKey is GYZNJRNNRBDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-8-13(9-11(2)15(10)18)16(19)14(17)12-6-4-3-5-7-12/h3-9,14,16,18-19H,17H2,1-2H3.
What are the key properties of 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol?
4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol has a molecular weight of 257.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol is sourced from PubChem (CID 55111408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).