1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride

C10H16ClNO2 — CID 67019748

IUPAC1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1ccc(CC(O)CN)cc1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-13-10-4-2-8(3-5-10)6-9(12)7-11;/h2-5,9,12H,6-7,11H2,1H3;1H
InChIKeyASWAZEOWQQLLAY-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.98
Rot. Bonds4

About 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride

1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 67019748) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
PubChem CID67019748
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1ccc(CC(O)CN)cc1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-13-10-4-2-8(3-5-10)6-9(12)7-11;/h2-5,9,12H,6-7,11H2,1H3;1H
InChIKeyASWAZEOWQQLLAY-UHFFFAOYSA-N
XLogP0.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(4-methoxyphenyl)-6,6-dimethylhept-4-yn-2-ol
CID 114190155
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride (CID 67019748) is 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride is COc1ccc(CC(O)CN)cc1.Cl.
What is the InChIKey of 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is ASWAZEOWQQLLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-13-10-4-2-8(3-5-10)6-9(12)7-11;/h2-5,9,12H,6-7,11H2,1H3;1H.
What are the key properties of 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride?
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 67019748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).