3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol

C17H29NO2 — CID 64804713

IUPAC3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
SMILESCCc1ccc(OCC(C)(CO)NC)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-13-8-9-15(14(10-13)16(2,3)4)20-12-17(5,11-19)18-6/h8-10,18-19H,7,11-12H2,1-6H3
InChIKeyFNWYWDWYOYZEQK-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.90
Rot. Bonds6

About 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol

3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64804713) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64804713
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
SMILESCCc1ccc(OCC(C)(CO)NC)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-13-8-9-15(14(10-13)16(2,3)4)20-12-17(5,11-19)18-6/h8-10,18-19H,7,11-12H2,1-6H3
InChIKeyFNWYWDWYOYZEQK-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64804920
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
3-[[2-(2-tert-butyl-4-ethylphenoxy)acetyl]amino]propanoic acid
CID 9157815
4-(2-tert-butyl-4-ethylphenoxy)-3-methylbut-2-enoic acid
CID 77005489
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
CID 64805124
2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene
CID 77051207
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
CID 63907234
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol
CID 61255013

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol (CID 64804713) is 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol is CCc1ccc(OCC(C)(CO)NC)c(C(C)(C)C)c1.
What is the InChIKey of 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is FNWYWDWYOYZEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-13-8-9-15(14(10-13)16(2,3)4)20-12-17(5,11-19)18-6/h8-10,18-19H,7,11-12H2,1-6H3.
What are the key properties of 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).