1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol

C17H29NO2 — CID 114492105

IUPAC1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(C)cc1CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-17(6,19)12-20-15-9-8-13(2)10-14(15)11-18-16(3,4)5/h8-10,18-19H,7,11-12H2,1-6H3
InChIKeyOTFYJKLYNLDSHS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.42
Rot. Bonds6

About 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol

1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol (PubChem CID 114492105) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol
PubChem CID114492105
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(C)cc1CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-17(6,19)12-20-15-9-8-13(2)10-14(15)11-18-16(3,4)5/h8-10,18-19H,7,11-12H2,1-6H3
InChIKeyOTFYJKLYNLDSHS-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-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-butylamino)methyl]-4-methylphenoxy]propan-2-ol
CID 63326862
N-[[2-(2-ethylbutoxy)-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 82925961
1-[2-(2-hydroxy-2-methylbutoxy)-5-methylphenyl]ethanone
CID 114493917
4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
CID 63326937
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
2-methyl-N-[[5-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]propan-2-amine
CID 113473409
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-1-ol
CID 114266691
methyl 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butanoate
CID 63326685
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326986
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
CID 79360568
2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326599

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol (CID 114492105) is 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol is CCC(C)(O)COc1ccc(C)cc1CNC(C)(C)C.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol?
The InChIKey is OTFYJKLYNLDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-17(6,19)12-20-15-9-8-13(2)10-14(15)11-18-16(3,4)5/h8-10,18-19H,7,11-12H2,1-6H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol?
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114492105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).