2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol

C12H17NO2 — CID 171270321

IUPAC2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
SMILESCc1cccc([C@H](N)[C@H](O)C2CC2)c1O
InChIInChI=1S/C12H17NO2/c1-7-3-2-4-9(11(7)14)10(13)12(15)8-5-6-8/h2-4,8,10,12,14-15H,5-6,13H2,1H3/t10-,12+/m0/s1
InChIKeyLIRMDPITRSOQJW-CMPLNLGQSA-N
MW207.27 g/mol
LogP1.47
Rot. Bonds3

About 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol

2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol (PubChem CID 171270321) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
PubChem CID171270321
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
SMILESCc1cccc([C@H](N)[C@H](O)C2CC2)c1O
InChIInChI=1S/C12H17NO2/c1-7-3-2-4-9(11(7)14)10(13)12(15)8-5-6-8/h2-4,8,10,12,14-15H,5-6,13H2,1H3/t10-,12+/m0/s1
InChIKeyLIRMDPITRSOQJW-CMPLNLGQSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
CID 171260974
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol?
The IUPAC name of 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol (CID 171270321) is 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol is Cc1cccc([C@H](N)[C@H](O)C2CC2)c1O.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol?
The InChIKey is LIRMDPITRSOQJW-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-3-2-4-9(11(7)14)10(13)12(15)8-5-6-8/h2-4,8,10,12,14-15H,5-6,13H2,1H3/t10-,12+/m0/s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol?
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol has a molecular weight of 207.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol is sourced from PubChem (CID 171270321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).