4-(1-aminoethyl)-2,5-dimethoxyphenol

C10H15NO3 — CID 117287023

IUPAC4-(1-aminoethyl)-2,5-dimethoxyphenol
SMILESCOc1cc(C(C)N)c(OC)cc1O
InChIInChI=1S/C10H15NO3/c1-6(11)7-4-10(14-3)8(12)5-9(7)13-2/h4-6,12H,11H2,1-3H3
InChIKeyNYACZTADMOQHQC-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.43
Rot. Bonds3

About 4-(1-aminoethyl)-2,5-dimethoxyphenol

4-(1-aminoethyl)-2,5-dimethoxyphenol (PubChem CID 117287023) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2,5-dimethoxyphenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2,5-dimethoxyphenol
PubChem CID117287023
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(1-aminoethyl)-2,5-dimethoxyphenol
SMILESCOc1cc(C(C)N)c(OC)cc1O
InChIInChI=1S/C10H15NO3/c1-6(11)7-4-10(14-3)8(12)5-9(7)13-2/h4-6,12H,11H2,1-3H3
InChIKeyNYACZTADMOQHQC-UHFFFAOYSA-N
XLogP1.43
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
CID 57480108
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
5-methoxybenzene-1,2,4-triol
CID 20551665
2-(1-fluoroethyl)-4,5-dimethoxyphenol
CID 84669374
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol
CID 55269768
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2,5-dimethoxyphenol?
The IUPAC name of 4-(1-aminoethyl)-2,5-dimethoxyphenol (CID 117287023) is 4-(1-aminoethyl)-2,5-dimethoxyphenol.
What is the SMILES notation for 4-(1-aminoethyl)-2,5-dimethoxyphenol?
The canonical SMILES for 4-(1-aminoethyl)-2,5-dimethoxyphenol is COc1cc(C(C)N)c(OC)cc1O.
What is the InChIKey of 4-(1-aminoethyl)-2,5-dimethoxyphenol?
The InChIKey is NYACZTADMOQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(11)7-4-10(14-3)8(12)5-9(7)13-2/h4-6,12H,11H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2,5-dimethoxyphenol?
4-(1-aminoethyl)-2,5-dimethoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2,5-dimethoxyphenol is sourced from PubChem (CID 117287023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).