3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride

C11H16ClNO2 — CID 171160686

IUPAC3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)[C@@H](O)C1CC1
InChIInChI=1S/C11H15NO2.ClH/c12-10(11(14)7-4-5-7)8-2-1-3-9(13)6-8;/h1-3,6-7,10-11,13-14H,4-5,12H2;1H/t10-,11+;/m1./s1
InChIKeyQSRBCHZXFGLOPJ-DHXVBOOMSA-N
MW229.71 g/mol
LogP1.58
Rot. Bonds3

About 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride

3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride (PubChem CID 171160686) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
PubChem CID171160686
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
SMILESCl.N[C@H](c1cccc(O)c1)[C@@H](O)C1CC1
InChIInChI=1S/C11H15NO2.ClH/c12-10(11(14)7-4-5-7)8-2-1-3-9(13)6-8;/h1-3,6-7,10-11,13-14H,4-5,12H2;1H/t10-,11+;/m1./s1
InChIKeyQSRBCHZXFGLOPJ-DHXVBOOMSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
CID 171266816
(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol
CID 131188755
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride?
The IUPAC name of 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride (CID 171160686) is 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride is Cl.N[C@H](c1cccc(O)c1)[C@@H](O)C1CC1.
What is the InChIKey of 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride?
The InChIKey is QSRBCHZXFGLOPJ-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c12-10(11(14)7-4-5-7)8-2-1-3-9(13)6-8;/h1-3,6-7,10-11,13-14H,4-5,12H2;1H/t10-,11+;/m1./s1.
What are the key properties of 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride?
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride is sourced from PubChem (CID 171160686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).