1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol

C15H25NO2 — CID 63270750

IUPAC1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(CC(C)(O)CNC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)16-11-15(4,17)10-12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3
InChIKeyPYDCHERCATUTPR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.38
Rot. Bonds5

About 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol

1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol (PubChem CID 63270750) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
PubChem CID63270750
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(CC(C)(O)CNC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-14(2,3)16-11-15(4,17)10-12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3
InChIKeyPYDCHERCATUTPR-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270705
1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 105402488
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62260451
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 95982933
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 90498239
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol (CID 63270750) is 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol is COc1ccc(CC(C)(O)CNC(C)(C)C)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The InChIKey is PYDCHERCATUTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)16-11-15(4,17)10-12-6-8-13(18-5)9-7-12/h6-9,16-17H,10-11H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 63270750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).