5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol

C18H31NO2 — CID 83939393

IUPAC5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C18H31NO2/c1-7-8-15(19)16(20)9-11(2)18-12(3)10-17(21-6)13(4)14(18)5/h10-11,15-16,20H,7-9,19H2,1-6H3
InChIKeyZRFDFCVJRNHRBF-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.60
Rot. Bonds7

About 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol

5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol (PubChem CID 83939393) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
PubChem CID83939393
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C18H31NO2/c1-7-8-15(19)16(20)9-11(2)18-12(3)10-17(21-6)13(4)14(18)5/h10-11,15-16,20H,7-9,19H2,1-6H3
InChIKeyZRFDFCVJRNHRBF-UHFFFAOYSA-N
XLogP3.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83940411
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
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-(2,3-dimethylphenyl)octan-4-ol
CID 83922078
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol (CID 83939393) is 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol?
The InChIKey is ZRFDFCVJRNHRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-8-15(19)16(20)9-11(2)18-12(3)10-17(21-6)13(4)14(18)5/h10-11,15-16,20H,7-9,19H2,1-6H3.
What are the key properties of 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol?
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol has a molecular weight of 293.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol is sourced from PubChem (CID 83939393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).