(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol

C11H17NO — CID 55276234

IUPAC(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1cc(C)ccc1C
InChIInChI=1S/C11H17NO/c1-8-4-5-9(2)10(6-8)11(7-13)12-3/h4-6,11-13H,7H2,1-3H3/t11-/m1/s1
InChIKeyUHMYHZGCCWORAV-LLVKDONJSA-N
MW179.26 g/mol
LogP1.56
Rot. Bonds3

About (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol

(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol (PubChem CID 55276234) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
PubChem CID55276234
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1cc(C)ccc1C
InChIInChI=1S/C11H17NO/c1-8-4-5-9(2)10(6-8)11(7-13)12-3/h4-6,11-13H,7H2,1-3H3/t11-/m1/s1
InChIKeyUHMYHZGCCWORAV-LLVKDONJSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
2-anilino-2-(2,5-dimethylphenyl)ethanol
CID 54977554
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
CID 54977603
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid
CID 116953082
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
CID 64644928
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol (CID 55276234) is (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol is CN[C@H](CO)c1cc(C)ccc1C.
What is the InChIKey of (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol?
The InChIKey is UHMYHZGCCWORAV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-9(2)10(6-8)11(7-13)12-3/h4-6,11-13H,7H2,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol?
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 55276234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).