2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol

C13H21NO2 — CID 164853347

IUPAC2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(N)CO)cc(C(C)(C)C)c1
InChIInChI=1S/C13H21NO2/c1-13(2,3)10-5-9(12(14)8-15)6-11(7-10)16-4/h5-7,12,15H,8,14H2,1-4H3
InChIKeyRSEWNCOMYHQMAV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol

2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol (PubChem CID 164853347) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol
PubChem CID164853347
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(N)CO)cc(C(C)(C)C)c1
InChIInChI=1S/C13H21NO2/c1-13(2,3)10-5-9(12(14)8-15)6-11(7-10)16-4/h5-7,12,15H,8,14H2,1-4H3
InChIKeyRSEWNCOMYHQMAV-UHFFFAOYSA-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

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Related Compounds

2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
4-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 117443815
(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171239433
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171208362
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
CID 84694404
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol (CID 164853347) is 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol is COc1cc(C(N)CO)cc(C(C)(C)C)c1.
What is the InChIKey of 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol?
The InChIKey is RSEWNCOMYHQMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)10-5-9(12(14)8-15)6-11(7-10)16-4/h5-7,12,15H,8,14H2,1-4H3.
What are the key properties of 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol?
2-amino-2-(3-tert-butyl-5-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 2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol is sourced from PubChem (CID 164853347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).