4-(2-aminoethyl)-2-methoxyphenol;hydrochloride

C9H14ClNO2 — CID 11957621

IUPAC4-(2-aminoethyl)-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CCN)ccc1O.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
InChIKeyAWRIOTVUTPLWLF-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.32
Rot. Bonds3

About 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride

4-(2-aminoethyl)-2-methoxyphenol;hydrochloride (PubChem CID 11957621) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-methoxyphenol;hydrochloride
PubChem CID11957621
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name4-(2-aminoethyl)-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CCN)ccc1O.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
InChIKeyAWRIOTVUTPLWLF-UHFFFAOYSA-N
XLogP1.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride (CID 11957621) is 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride is COc1cc(CCN)ccc1O.Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride?
The InChIKey is AWRIOTVUTPLWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H.
What are the key properties of 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride?
4-(2-aminoethyl)-2-methoxyphenol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 11957621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).