(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol

C11H17NO — CID 131023872

IUPAC(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc([C@@H](N)[C@@H](C)O)c(C)c1
InChIInChI=1S/C11H17NO/c1-7-4-5-10(8(2)6-7)11(12)9(3)13/h4-6,9,11,13H,12H2,1-3H3/t9-,11+/m1/s1
InChIKeyQRRFXAGSYFYLJX-KOLCDFICSA-N
MW179.26 g/mol
LogP1.68
Rot. Bonds2

About (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol

(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol (PubChem CID 131023872) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
PubChem CID131023872
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc([C@@H](N)[C@@H](C)O)c(C)c1
InChIInChI=1S/C11H17NO/c1-7-4-5-10(8(2)6-7)11(12)9(3)13/h4-6,9,11,13H,12H2,1-3H3/t9-,11+/m1/s1
InChIKeyQRRFXAGSYFYLJX-KOLCDFICSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol (CID 131023872) is (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol is Cc1ccc([C@@H](N)[C@@H](C)O)c(C)c1.
What is the InChIKey of (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol?
The InChIKey is QRRFXAGSYFYLJX-KOLCDFICSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-4-5-10(8(2)6-7)11(12)9(3)13/h4-6,9,11,13H,12H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol?
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 131023872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).