2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride

C9H14ClNO2 — CID 67183570

IUPAC2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
SMILESCl.NCc1ccccc1OCCO
InChIInChI=1S/C9H13NO2.ClH/c10-7-8-3-1-2-4-9(8)12-6-5-11;/h1-4,11H,5-7,10H2;1H
InChIKeyVAQCPKNJQDEYFV-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.94
Rot. Bonds4

About 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride

2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride (PubChem CID 67183570) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
PubChem CID67183570
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
SMILESCl.NCc1ccccc1OCCO
InChIInChI=1S/C9H13NO2.ClH/c10-7-8-3-1-2-4-9(8)12-6-5-11;/h1-4,11H,5-7,10H2;1H
InChIKeyVAQCPKNJQDEYFV-UHFFFAOYSA-N
XLogP0.94
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(fluoromethoxy)phenyl]methanamine;hydrochloride
CID 158704941
4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361112
5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
CID 107198493
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
CID 102860726
(2-prop-2-ynoxyphenyl)methanamine;hydrochloride
CID 50988698
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride (CID 67183570) is 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride is Cl.NCc1ccccc1OCCO.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride?
The InChIKey is VAQCPKNJQDEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c10-7-8-3-1-2-4-9(8)12-6-5-11;/h1-4,11H,5-7,10H2;1H.
What are the key properties of 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride?
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride is sourced from PubChem (CID 67183570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).