2-(4-methoxyphenoxy)ethanamine;hydrochloride

C9H14ClNO2 — CID 43810691

IUPAC2-(4-methoxyphenoxy)ethanamine;hydrochloride
SMILESCOc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-11-8-2-4-9(5-3-8)12-7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyYCFXTJDWVNEVEX-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-methoxyphenoxy)ethanamine;hydrochloride

2-(4-methoxyphenoxy)ethanamine;hydrochloride (PubChem CID 43810691) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethanamine;hydrochloride
PubChem CID43810691
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-(4-methoxyphenoxy)ethanamine;hydrochloride
SMILESCOc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-11-8-2-4-9(5-3-8)12-7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyYCFXTJDWVNEVEX-UHFFFAOYSA-N
XLogP1.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenoxy)ethanamine;hydrochloride (CID 43810691) is 2-(4-methoxyphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenoxy)ethanamine;hydrochloride is COc1ccc(OCCN)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenoxy)ethanamine;hydrochloride?
The InChIKey is YCFXTJDWVNEVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-11-8-2-4-9(5-3-8)12-7-6-10;/h2-5H,6-7,10H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenoxy)ethanamine;hydrochloride?
2-(4-methoxyphenoxy)ethanamine;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 43810691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).