4-[2-(tert-butylamino)-1-hydroxyethyl]phenol

C12H19NO2 — CID 23844

IUPAC4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
SMILESCC(C)(C)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3
InChIKeyJOGFUYPGDLRKHD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.81
Rot. Bonds3

About 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol

4-[2-(tert-butylamino)-1-hydroxyethyl]phenol (PubChem CID 23844) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
PubChem CID23844
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
SMILESCC(C)(C)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3
InChIKeyJOGFUYPGDLRKHD-UHFFFAOYSA-N
XLogP1.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol (CID 23844) is 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol is CC(C)(C)NCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol?
The InChIKey is JOGFUYPGDLRKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3.
What are the key properties of 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol?
4-[2-(tert-butylamino)-1-hydroxyethyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol is sourced from PubChem (CID 23844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).