(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol

C13H21NO — CID 131347710

IUPAC(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
SMILESCc1cccc([C@H](N)[C@H](O)C(C)C)c1C
InChIInChI=1S/C13H21NO/c1-8(2)13(15)12(14)11-7-5-6-9(3)10(11)4/h5-8,12-13,15H,14H2,1-4H3/t12-,13+/m0/s1
InChIKeyWUCBHMBETWVVKT-QWHCGFSZSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds3

About (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol

(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol (PubChem CID 131347710) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
PubChem CID131347710
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
SMILESCc1cccc([C@H](N)[C@H](O)C(C)C)c1C
InChIInChI=1S/C13H21NO/c1-8(2)13(15)12(14)11-7-5-6-9(3)10(11)4/h5-8,12-13,15H,14H2,1-4H3/t12-,13+/m0/s1
InChIKeyWUCBHMBETWVVKT-QWHCGFSZSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
CID 130724635
(1R,2S)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol
CID 131371288
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-6-chlorophenol
CID 131290563
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
(1S,2R)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171269988

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol (CID 131347710) is (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol is Cc1cccc([C@H](N)[C@H](O)C(C)C)c1C.
What is the InChIKey of (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
The InChIKey is WUCBHMBETWVVKT-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H21NO/c1-8(2)13(15)12(14)11-7-5-6-9(3)10(11)4/h5-8,12-13,15H,14H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 131347710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).