5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol

C16H27NO3 — CID 83928886

IUPAC5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-6-13(17)14(18)9-11(2)12-7-8-15(19-3)16(10-12)20-4/h7-8,10-11,13-14,18H,5-6,9,17H2,1-4H3
InChIKeyUGTBJJMVXYGRJB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.69
Rot. Bonds8

About 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol

5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol (PubChem CID 83928886) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
PubChem CID83928886
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-6-13(17)14(18)9-11(2)12-7-8-15(19-3)16(10-12)20-4/h7-8,10-11,13-14,18H,5-6,9,17H2,1-4H3
InChIKeyUGTBJJMVXYGRJB-UHFFFAOYSA-N
XLogP2.69
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
(1S,2R)-1-amino-1-(3,4-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171162200
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
5-amino-2-(3,5-dichlorophenyl)octan-4-ol
CID 83924873
(4S)-4-amino-4-(3,4-dimethoxyphenyl)butan-2-ol
CID 71044038
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol (CID 83928886) is 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol?
The InChIKey is UGTBJJMVXYGRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-6-13(17)14(18)9-11(2)12-7-8-15(19-3)16(10-12)20-4/h7-8,10-11,13-14,18H,5-6,9,17H2,1-4H3.
What are the key properties of 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol?
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol has a molecular weight of 281.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol is sourced from PubChem (CID 83928886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).