2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol

C14H23NO3 — CID 117386585

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

About 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol

2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol (PubChem CID 117386585) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
PubChem CID117386585
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(C(N)CO)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO3/c1-14(2,3)11-7-9(17-4)6-10(12(15)8-16)13(11)18-5/h6-7,12,16H,8,15H2,1-5H3
InChIKeyNILKTBBESWQXIM-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

3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
2-amino-2-(3-tert-butyl-5-methoxyphenyl)ethanol
CID 164853347
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
CID 83887856
2-amino-3-(3-tert-butyl-2,5-dimethoxyphenyl)propanoic acid
CID 117451563
2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
CID 117351397
1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 82292256
4-amino-4-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117451567
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol (CID 117386585) is 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol is COc1cc(C(N)CO)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol?
The InChIKey is NILKTBBESWQXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)11-7-9(17-4)6-10(12(15)8-16)13(11)18-5/h6-7,12,16H,8,15H2,1-5H3.
What are the key properties of 2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol?
2-amino-2-(3-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-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117386585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).