3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol

C17H29NO — CID 115133840

IUPAC3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1NC(C)(C)CCO
InChIInChI=1S/C17H29NO/c1-12-10-14(16(3,4)5)11-13(2)15(12)18-17(6,7)8-9-19/h10-11,18-19H,8-9H2,1-7H3
InChIKeySSIKEUOXSBXKPD-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.17
Rot. Bonds4

About 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol

3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol (PubChem CID 115133840) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol
PubChem CID115133840
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1NC(C)(C)CCO
InChIInChI=1S/C17H29NO/c1-12-10-14(16(3,4)5)11-13(2)15(12)18-17(6,7)8-9-19/h10-11,18-19H,8-9H2,1-7H3
InChIKeySSIKEUOXSBXKPD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-Dimethyl-phenylamino)-butan-1-ol
CID 3144572
2-(Mesitylamino)ethanol
CID 67375569
1-(2,6-Dimethylanilino)octan-1-ol
CID 90957116
(2S)-3-methyl-2-[2-(2,4,6-trimethylanilino)ethylamino]butan-1-ol
CID 138964937
4-(2,4,6-Trimethylanilino)butan-1-ol
CID 49962456
4-(2,6-Dimethylanilino)-2,2,5,5-tetramethylhexan-3-ol
CID 100913715
N-(2-tert-butyl-4,6-dimethylphenyl)acetamide
CID 517940
4-[2,6-Di(propan-2-yl)anilino]pentan-2-ol
CID 5246283
N-(2,4-ditert-butyl-6-methylphenyl)acetamide
CID 13718495
3-(2,6-Dimethylanilino)propan-1-ol
CID 14304867
N-(2,4,6-tritert-butylphenyl)acetamide
CID 18630349
N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline
CID 19995460

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol (CID 115133840) is 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol is Cc1cc(C(C)(C)C)cc(C)c1NC(C)(C)CCO.
What is the InChIKey of 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol?
The InChIKey is SSIKEUOXSBXKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12-10-14(16(3,4)5)11-13(2)15(12)18-17(6,7)8-9-19/h10-11,18-19H,8-9H2,1-7H3.
What are the key properties of 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol?
3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 115133840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).