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

C17H29NO — CID 82303464

IUPAC2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1C(O)C(N)C(C)C
InChIInChI=1S/C17H29NO/c1-10(2)15(18)16(19)14-11(3)8-13(9-12(14)4)17(5,6)7/h8-10,15-16,19H,18H2,1-7H3
InChIKeyOGBJGVNTTKSARS-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.62
Rot. Bonds3

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

2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol (PubChem CID 82303464) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol
PubChem CID82303464
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1C(O)C(N)C(C)C
InChIInChI=1S/C17H29NO/c1-10(2)15(18)16(19)14-11(3)8-13(9-12(14)4)17(5,6)7/h8-10,15-16,19H,18H2,1-7H3
InChIKeyOGBJGVNTTKSARS-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82297228
4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
CID 131076622
2-[(2S)-2-amino-1-hydroxy-3-methylbutyl]-3-(2-hydroxypropan-2-yl)cycloprop-2-en-1-one
CID 15233267
2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
CID 82291991
1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935061
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168
2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
CID 116848948
3-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propane-1-thiol
CID 116831260
3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
CID 82291424
(1S,2R)-1-hydroxy-2,4,4-trimethyl-1-(2,4,6-trimethylphenyl)pentan-3-one
CID 11991420
2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
CID 116964129

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol (CID 82303464) is 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol is Cc1cc(C(C)(C)C)cc(C)c1C(O)C(N)C(C)C.
What is the InChIKey of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol?
The InChIKey is OGBJGVNTTKSARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-10(2)15(18)16(19)14-11(3)8-13(9-12(14)4)17(5,6)7/h8-10,15-16,19H,18H2,1-7H3.
What are the key properties of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol?
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82303464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).