(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol

C13H21NO2 — CID 66514274

IUPAC(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(C)C)cc1[C@@H](N)CO
InChIInChI=1S/C13H21NO2/c1-13(2,3)9-5-6-12(16-4)10(7-9)11(14)8-15/h5-7,11,15H,8,14H2,1-4H3/t11-/m0/s1
InChIKeyNFJNINMNKCEMCL-NSHDSACASA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds3

About (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol

(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol (PubChem CID 66514274) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
PubChem CID66514274
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(C)C)cc1[C@@H](N)CO
InChIInChI=1S/C13H21NO2/c1-13(2,3)9-5-6-12(16-4)10(7-9)11(14)8-15/h5-7,11,15H,8,14H2,1-4H3/t11-/m0/s1
InChIKeyNFJNINMNKCEMCL-NSHDSACASA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol 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

(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 116933842
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
CID 66515156
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol (CID 66514274) is (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol is COc1ccc(C(C)(C)C)cc1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol?
The InChIKey is NFJNINMNKCEMCL-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)9-5-6-12(16-4)10(7-9)11(14)8-15/h5-7,11,15H,8,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol?
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol is sourced from PubChem (CID 66514274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).