1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol

C21H37NO2 — CID 18807375

IUPAC1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C21H37NO2/c1-8-22(9-2)14-18(23)15-24-19-12-10-17(11-13-19)21(6,7)16-20(3,4)5/h10-13,18,23H,8-9,14-16H2,1-7H3
InChIKeyMAZCAPOBPZROTL-UHFFFAOYSA-N
MW335.53 g/mol
LogP4.48
Rot. Bonds9

About 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol

1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol (PubChem CID 18807375) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
PubChem CID18807375
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C21H37NO2/c1-8-22(9-2)14-18(23)15-24-19-12-10-17(11-13-19)21(6,7)16-20(3,4)5/h10-13,18,23H,8-9,14-16H2,1-7H3
InChIKeyMAZCAPOBPZROTL-UHFFFAOYSA-N
XLogP4.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
ethyl-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-dimethylazanium
CID 43842249
[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-trimethylazanium
CID 27532172
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(azepan-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807362
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79385193
2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoic acid
CID 43537499
(1,5-dimethylpyrrol-2-yl)methyl-[(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium
CID 2442582
1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807376
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
CID 42942556

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol (CID 18807375) is 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol is CCN(CC)CC(O)COc1ccc(C(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?
The InChIKey is MAZCAPOBPZROTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2/c1-8-22(9-2)14-18(23)15-24-19-12-10-17(11-13-19)21(6,7)16-20(3,4)5/h10-13,18,23H,8-9,14-16H2,1-7H3.
What are the key properties of 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?
1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol has a molecular weight of 335.53 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 18807375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).