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

C15H25NO — CID 82291424

IUPAC3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1C(CN)CO
InChIInChI=1S/C15H25NO/c1-10-6-13(15(3,4)5)7-11(2)14(10)12(8-16)9-17/h6-7,12,17H,8-9,16H2,1-5H3
InChIKeyATAJROGDBNSJQP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.64
Rot. Bonds3

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

3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol (PubChem CID 82291424) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
PubChem CID82291424
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1C(CN)CO
InChIInChI=1S/C15H25NO/c1-10-6-13(15(3,4)5)7-11(2)14(10)12(8-16)9-17/h6-7,12,17H,8-9,16H2,1-5H3
InChIKeyATAJROGDBNSJQP-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
CID 116964129
2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
CID 82141452
4-methyl-2-(2,4,6-trimethylphenyl)pentan-1-ol
CID 82079911
[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
CID 116943405
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82303464
3-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propane-1-thiol
CID 116831260
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 10082173

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol (CID 82291424) is 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol is Cc1cc(C(C)(C)C)cc(C)c1C(CN)CO.
What is the InChIKey of 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol?
The InChIKey is ATAJROGDBNSJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-6-13(15(3,4)5)7-11(2)14(10)12(8-16)9-17/h6-7,12,17H,8-9,16H2,1-5H3.
What are the key properties of 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol?
3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82291424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).