2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol

C14H23NO3 — CID 117386584

IUPAC2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(C(C)(C)C)c(OC)cc1C(N)CO
InChIInChI=1S/C14H23NO3/c1-14(2,3)10-7-12(17-4)9(11(15)8-16)6-13(10)18-5/h6-7,11,16H,8,15H2,1-5H3
InChIKeyWAGUXLYOCMRVIL-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol

2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol (PubChem CID 117386584) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
PubChem CID117386584
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(C(C)(C)C)c(OC)cc1C(N)CO
InChIInChI=1S/C14H23NO3/c1-14(2,3)10-7-12(17-4)9(11(15)8-16)6-13(10)18-5/h6-7,11,16H,8,15H2,1-5H3
InChIKeyWAGUXLYOCMRVIL-UHFFFAOYSA-N
XLogP1.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418124
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol (CID 117386584) is 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol is COc1cc(C(C)(C)C)c(OC)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol?
The InChIKey is WAGUXLYOCMRVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)10-7-12(17-4)9(11(15)8-16)6-13(10)18-5/h6-7,11,16H,8,15H2,1-5H3.
What are the key properties of 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol?
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol has a molecular weight of 253.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117386584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).