4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol

C18H31NO2 — CID 64804920

IUPAC4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
SMILESCCc1ccc(OCCC(C)(CO)NC)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-7-14-8-9-16(15(12-14)17(2,3)4)21-11-10-18(5,13-20)19-6/h8-9,12,19-20H,7,10-11,13H2,1-6H3
InChIKeyAQADIIFTALHDSY-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.29
Rot. Bonds7

About 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol

4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64804920) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64804920
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
SMILESCCc1ccc(OCCC(C)(CO)NC)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-7-14-8-9-16(15(12-14)17(2,3)4)21-11-10-18(5,13-20)19-6/h8-9,12,19-20H,7,10-11,13H2,1-6H3
InChIKeyAQADIIFTALHDSY-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64808680
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
CID 20988456
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol
CID 61255013

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol (CID 64804920) is 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol is CCc1ccc(OCCC(C)(CO)NC)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is AQADIIFTALHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-14-8-9-16(15(12-14)17(2,3)4)21-11-10-18(5,13-20)19-6/h8-9,12,19-20H,7,10-11,13H2,1-6H3.
What are the key properties of 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol?
4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64804920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).