3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride

C9H14ClNO2 — CID 16745125

IUPAC3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
SMILESCNC[C@@H](O)c1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m1./s1
InChIKeyOCYSGIYOVXAGKQ-SBSPUUFOSA-N
MW203.67 g/mol
LogP1.07
Rot. Bonds3

About 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride

3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride (PubChem CID 16745125) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
PubChem CID16745125
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
SMILESCNC[C@@H](O)c1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m1./s1
InChIKeyOCYSGIYOVXAGKQ-SBSPUUFOSA-N
XLogP1.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
CID 76973806
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
3-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
3-[1-hydroxy-2-(prop-2-enylamino)ethyl]phenol;hydrochloride
CID 70405154
2-(methylamino)-1-(3-nitrosophenyl)ethanol
CID 143634279
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
CID 53495159

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
The IUPAC name of 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride (CID 16745125) is 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride is CNC[C@@H](O)c1cccc(O)c1.Cl.
What is the InChIKey of 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
The InChIKey is OCYSGIYOVXAGKQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride is sourced from PubChem (CID 16745125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).