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

C19H33NO2 — CID 83941032

IUPAC5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
SMILESCCCOc1cc(C)c(C(C)CC(O)C(N)CCC)cc1C
InChIInChI=1S/C19H33NO2/c1-6-8-17(20)18(21)11-13(3)16-10-15(5)19(12-14(16)4)22-9-7-2/h10,12-13,17-18,21H,6-9,11,20H2,1-5H3
InChIKeyCBPGHGYDJQGFJO-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.07
Rot. Bonds9

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

5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol (PubChem CID 83941032) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
PubChem CID83941032
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
SMILESCCCOc1cc(C)c(C(C)CC(O)C(N)CCC)cc1C
InChIInChI=1S/C19H33NO2/c1-6-8-17(20)18(21)11-13(3)16-10-15(5)19(12-14(16)4)22-9-7-2/h10,12-13,17-18,21H,6-9,11,20H2,1-5H3
InChIKeyCBPGHGYDJQGFJO-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

5-amino-2-(2,6-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83940411
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537
5-amino-2-(4,5-diethoxy-2-fluorophenyl)octan-4-ol
CID 83923165
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
5-amino-2-(2,3-dimethylphenyl)octan-4-ol
CID 83922078
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
CID 83940931
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
CID 83935661
1-[2,5-dimethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82552270

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol (CID 83941032) is 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol is CCCOc1cc(C)c(C(C)CC(O)C(N)CCC)cc1C.
What is the InChIKey of 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol?
The InChIKey is CBPGHGYDJQGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-6-8-17(20)18(21)11-13(3)16-10-15(5)19(12-14(16)4)22-9-7-2/h10,12-13,17-18,21H,6-9,11,20H2,1-5H3.
What are the key properties of 5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol?
5-amino-2-(2,5-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-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol is sourced from PubChem (CID 83941032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).