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

C16H27NO2 — CID 64804096

IUPAC3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-7-8-14(13(9-12)15(2,3)4)19-11-16(5,10-18)17-6/h7-9,17-18H,10-11H2,1-6H3
InChIKeyOICSSOXFKMBEAA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds5

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

3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64804096) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64804096
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-7-8-14(13(9-12)15(2,3)4)19-11-16(5,10-18)17-6/h7-9,17-18H,10-11H2,1-6H3
InChIKeyOICSSOXFKMBEAA-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-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

3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide
CID 79627985
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
1-(2-tert-butyl-4-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66336391
4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64804920
2-amino-6-(2-tert-butyl-4-methylphenoxy)-2-methylhexan-1-ol
CID 64802218
2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
CID 64803684
2-[(2-tert-butyl-4-methylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066809
2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 55063375
1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
CID 64813786
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol (CID 64804096) is 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(CO)COc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is OICSSOXFKMBEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-7-8-14(13(9-12)15(2,3)4)19-11-16(5,10-18)17-6/h7-9,17-18H,10-11H2,1-6H3.
What are the key properties of 3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol?
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.64, 5 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-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64804096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).