2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride

C9H14ClNO2 — CID 54593518

IUPAC2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccccc1C(O)CN.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-12-9-5-3-2-4-7(9)8(11)6-10;/h2-5,8,11H,6,10H2,1H3;1H
InChIKeyPHIJGMWZXKJEFF-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.11
Rot. Bonds3

About 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride

2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride (PubChem CID 54593518) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
PubChem CID54593518
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccccc1C(O)CN.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-12-9-5-3-2-4-7(9)8(11)6-10;/h2-5,8,11H,6,10H2,1H3;1H
InChIKeyPHIJGMWZXKJEFF-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
CID 10039695
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171237893
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride (CID 54593518) is 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride is COc1ccccc1C(O)CN.Cl.
What is the InChIKey of 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is PHIJGMWZXKJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-12-9-5-3-2-4-7(9)8(11)6-10;/h2-5,8,11H,6,10H2,1H3;1H.
What are the key properties of 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride?
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 54593518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).