1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol

C17H29NO — CID 96666593

IUPAC1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CNCC(C)(C)O
InChIInChI=1S/C17H29NO/c1-12-8-14(16(3,4)5)9-13(2)15(12)10-18-11-17(6,7)19/h8-9,18-19H,10-11H2,1-7H3
InChIKeyODHBZHJSKOHGJE-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.46
Rot. Bonds4

About 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol

1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 96666593) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
PubChem CID96666593
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CNCC(C)(C)O
InChIInChI=1S/C17H29NO/c1-12-8-14(16(3,4)5)9-13(2)15(12)10-18-11-17(6,7)19/h8-9,18-19H,10-11H2,1-7H3
InChIKeyODHBZHJSKOHGJE-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol
CID 115120572
2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol
CID 96661132
3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propanenitrile
CID 115230884
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230
1-[(2,6-difluorophenyl)methylamino]-2-methylpropan-2-ol
CID 63933107
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
2-methyl-1-[(2,3,6-trichlorophenyl)methylamino]propan-2-ol
CID 78954209
N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
CID 115191842
1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103677
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol (CID 96666593) is 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol is Cc1cc(C(C)(C)C)cc(C)c1CNCC(C)(C)O.
What is the InChIKey of 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is ODHBZHJSKOHGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12-8-14(16(3,4)5)9-13(2)15(12)10-18-11-17(6,7)19/h8-9,18-19H,10-11H2,1-7H3.
What are the key properties of 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol?
1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 96666593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).