5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol

C19H33NO2 — CID 83940411

IUPAC5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
SMILESCCCOc1cc(C)c(C(C)CC(O)C(N)CCC)c(C)c1
InChIInChI=1S/C19H33NO2/c1-6-8-17(20)18(21)12-15(5)19-13(3)10-16(11-14(19)4)22-9-7-2/h10-11,15,17-18,21H,6-9,12,20H2,1-5H3
InChIKeyDXFFIMBZWDXYAC-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.07
Rot. Bonds9

About 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol

5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol (PubChem CID 83940411) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
PubChem CID83940411
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
SMILESCCCOc1cc(C)c(C(C)CC(O)C(N)CCC)c(C)c1
InChIInChI=1S/C19H33NO2/c1-6-8-17(20)18(21)12-15(5)19-13(3)10-16(11-14(19)4)22-9-7-2/h10-11,15,17-18,21H,6-9,12,20H2,1-5H3
InChIKeyDXFFIMBZWDXYAC-UHFFFAOYSA-N
XLogP4.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethyl-4-propoxyphenyl)octane-4,5-diol
CID 83940421
6-(2,6-dimethyl-4-propoxyphenyl)heptane-3,4-diol
CID 83940420
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
3-(2,6-dimethyl-4-propoxyphenyl)butanethioamide
CID 83940351
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
5-amino-2-(4-propoxyphenyl)heptan-4-ol
CID 83932372
5-amino-2-(3-tert-butyl-4-methylphenyl)octan-4-ol
CID 83939263
2,2-dichloro-1-(2,6-dimethyl-4-propoxyphenyl)ethanol
CID 164895267
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
5-amino-2-(2,3-dimethylphenyl)octan-4-ol
CID 83922078

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol (CID 83940411) is 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol is CCCOc1cc(C)c(C(C)CC(O)C(N)CCC)c(C)c1.
What is the InChIKey of 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol?
The InChIKey is DXFFIMBZWDXYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-6-8-17(20)18(21)12-15(5)19-13(3)10-16(11-14(19)4)22-9-7-2/h10-11,15,17-18,21H,6-9,12,20H2,1-5H3.
What are the key properties of 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol?
5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol has a molecular weight of 307.48 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol is sourced from PubChem (CID 83940411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).