2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol

C12H19NO2 — CID 66514668

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)c([C@H](N)CO)c1
InChIInChI=1S/C12H19NO2/c1-12(2,3)8-4-5-11(15)9(6-8)10(13)7-14/h4-6,10,14-15H,7,13H2,1-3H3/t10-/m1/s1
InChIKeyLAGIOWXRLIYSSA-SNVBAGLBSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds2

About 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol

2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol (PubChem CID 66514668) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
PubChem CID66514668
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)c([C@H](N)CO)c1
InChIInChI=1S/C12H19NO2/c1-12(2,3)8-4-5-11(15)9(6-8)10(13)7-14/h4-6,10,14-15H,7,13H2,1-3H3/t10-/m1/s1
InChIKeyLAGIOWXRLIYSSA-SNVBAGLBSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol 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

(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
CID 66515156
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzoic acid
CID 55276793
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol
CID 23082212
2-[(1S)-1-amino-2-hydroxyethyl]-4-(aminomethyl)phenol
CID 55274535
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-tert-butylphenol
CID 66515741
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzonitrile
CID 55262887
2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid
CID 175095952

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol (CID 66514668) is 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol is CC(C)(C)c1ccc(O)c([C@H](N)CO)c1.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol?
The InChIKey is LAGIOWXRLIYSSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)8-4-5-11(15)9(6-8)10(13)7-14/h4-6,10,14-15H,7,13H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol?
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol has a molecular weight of 209.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol is sourced from PubChem (CID 66514668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).