5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol

C19H33NO — CID 83939263

IUPAC5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(C)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-7-8-17(20)18(21)11-14(3)15-10-9-13(2)16(12-15)19(4,5)6/h9-10,12,14,17-18,21H,7-8,11,20H2,1-6H3
InChIKeyHCWQUAXWWCQMLU-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.27
Rot. Bonds6

About 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol

5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol (PubChem CID 83939263) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
PubChem CID83939263
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(C)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-7-8-17(20)18(21)11-14(3)15-10-9-13(2)16(12-15)19(4,5)6/h9-10,12,14,17-18,21H,7-8,11,20H2,1-6H3
InChIKeyHCWQUAXWWCQMLU-UHFFFAOYSA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(3-tert-butyl-4-methylphenyl)heptan-4-ol
CID 83939260
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
2-(3,4-dimethylphenyl)octane-4,5-diol
CID 83927974
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
CID 83927012
5-amino-2-(2,3-dimethylphenyl)octan-4-ol
CID 83922078
5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83940411
2-tert-butyl-4-hex-4-yn-2-yl-1-methylbenzene
CID 83939213

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol (CID 83939263) is 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1ccc(C)c(C(C)(C)C)c1.
What is the InChIKey of 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol?
The InChIKey is HCWQUAXWWCQMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-8-17(20)18(21)11-14(3)15-10-9-13(2)16(12-15)19(4,5)6/h9-10,12,14,17-18,21H,7-8,11,20H2,1-6H3.
What are the key properties of 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol?
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol has a molecular weight of 291.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol is sourced from PubChem (CID 83939263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).