1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol

C16H27NO2 — CID 43343245

IUPAC1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-6-17-10-13(18)11-19-15-8-7-12(2)9-14(15)16(3,4)5/h7-9,13,17-18H,6,10-11H2,1-5H3
InChIKeyAVGWXSDLIMVOBR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds6

About 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol

1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol (PubChem CID 43343245) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
PubChem CID43343245
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-6-17-10-13(18)11-19-15-8-7-12(2)9-14(15)16(3,4)5/h7-9,13,17-18H,6,10-11H2,1-5H3
InChIKeyAVGWXSDLIMVOBR-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)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-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
1-(2-tert-butyl-4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 22419817
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 2304367
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 34065364
1-(2-tert-butyl-4-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 23804578
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
2-[(2-tert-butyl-4-methylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066809
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244
1-(2-tert-butyl-4-methylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3416270
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34886987
1-(2-chloro-4-methylphenoxy)-3-(propylamino)propan-2-ol
CID 62671258

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol (CID 43343245) is 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol is CCNCC(O)COc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol?
The InChIKey is AVGWXSDLIMVOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-10-13(18)11-19-15-8-7-12(2)9-14(15)16(3,4)5/h7-9,13,17-18H,6,10-11H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol?
1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 43343245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).