5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol

C12H19NO3 — CID 117323946

IUPAC5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol
SMILESCCOc1cc(CCCN)cc(O)c1OC
InChIInChI=1S/C12H19NO3/c1-3-16-11-8-9(5-4-6-13)7-10(14)12(11)15-2/h7-8,14H,3-6,13H2,1-2H3
InChIKeyUOXWNVHJOXGQNY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.69
Rot. Bonds6

About 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol

5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol (PubChem CID 117323946) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol
PubChem CID117323946
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol
SMILESCCOc1cc(CCCN)cc(O)c1OC
InChIInChI=1S/C12H19NO3/c1-3-16-11-8-9(5-4-6-13)7-10(14)12(11)15-2/h7-8,14H,3-6,13H2,1-2H3
InChIKeyUOXWNVHJOXGQNY-UHFFFAOYSA-N
XLogP1.69
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
5-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870539
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
CID 86311037
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
3-amino-2-(3-ethoxy-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117390839
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol?
The IUPAC name of 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol (CID 117323946) is 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol.
What is the SMILES notation for 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol?
The canonical SMILES for 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol is CCOc1cc(CCCN)cc(O)c1OC.
What is the InChIKey of 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol?
The InChIKey is UOXWNVHJOXGQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-11-8-9(5-4-6-13)7-10(14)12(11)15-2/h7-8,14H,3-6,13H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol?
5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-ethoxy-2-methoxyphenol is sourced from PubChem (CID 117323946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).