4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol

C13H21NO2 — CID 110177993

IUPAC4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
SMILESCc1cc(C(O)CNC(C)C)cc(C)c1O
InChIInChI=1S/C13H21NO2/c1-8(2)14-7-12(15)11-5-9(3)13(16)10(4)6-11/h5-6,8,12,14-16H,7H2,1-4H3
InChIKeyHZIZLPZRZDBTFK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds4

About 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol (PubChem CID 110177993) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
PubChem CID110177993
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
SMILESCc1cc(C(O)CNC(C)C)cc(C)c1O
InChIInChI=1S/C13H21NO2/c1-8(2)14-7-12(15)11-5-9(3)13(16)10(4)6-11/h5-6,8,12,14-16H,7H2,1-4H3
InChIKeyHZIZLPZRZDBTFK-UHFFFAOYSA-N
XLogP2.04
TPSA52.49 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 ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 62773929
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
CID 90002784
4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
CID 145140633
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
7-[3-[[2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
CID 3046580

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol (CID 110177993) is 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol is Cc1cc(C(O)CNC(C)C)cc(C)c1O.
What is the InChIKey of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol?
The InChIKey is HZIZLPZRZDBTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(2)14-7-12(15)11-5-9(3)13(16)10(4)6-11/h5-6,8,12,14-16H,7H2,1-4H3.
What are the key properties of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol?
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol has a molecular weight of 223.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol is sourced from PubChem (CID 110177993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).