(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol

C12H19NO — CID 130701027

IUPAC(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1[C@H](N)[C@H](O)C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)12(14)11(13)10-7-5-4-6-9(10)3/h4-8,11-12,14H,13H2,1-3H3/t11-,12+/m0/s1
InChIKeyUTTJJMIPKXEXEM-NWDGAFQWSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds3

About (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol

(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol (PubChem CID 130701027) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
PubChem CID130701027
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1[C@H](N)[C@H](O)C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)12(14)11(13)10-7-5-4-6-9(10)3/h4-8,11-12,14H,13H2,1-3H3/t11-,12+/m0/s1
InChIKeyUTTJJMIPKXEXEM-NWDGAFQWSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 131347710
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
CID 130724635
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
CID 171269462
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)-3-methylbutan-2-ol
CID 171271221
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
(1R,2S)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol
CID 131371288

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol?
The IUPAC name of (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol (CID 130701027) is (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol is Cc1ccccc1[C@H](N)[C@H](O)C(C)C.
What is the InChIKey of (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol?
The InChIKey is UTTJJMIPKXEXEM-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)12(14)11(13)10-7-5-4-6-9(10)3/h4-8,11-12,14H,13H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol?
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.01, 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-3-methyl-1-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 130701027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).