2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol

C11H17NO2 — CID 130610700

IUPAC2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
SMILESCc1cc(O)c([C@](C)(N)CO)cc1C
InChIInChI=1S/C11H17NO2/c1-7-4-9(11(3,12)6-13)10(14)5-8(7)2/h4-5,13-14H,6,12H2,1-3H3/t11-/m1/s1
InChIKeyMKLQORNVDWAFJW-LLVKDONJSA-N
MW195.26 g/mol
LogP1.18
Rot. Bonds2

About 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol

2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol (PubChem CID 130610700) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
PubChem CID130610700
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
SMILESCc1cc(O)c([C@](C)(N)CO)cc1C
InChIInChI=1S/C11H17NO2/c1-7-4-9(11(3,12)6-13)10(14)5-8(7)2/h4-5,13-14H,6,12H2,1-3H3/t11-/m1/s1
InChIKeyMKLQORNVDWAFJW-LLVKDONJSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol?
The IUPAC name of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol (CID 130610700) is 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol?
The canonical SMILES for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol is Cc1cc(O)c([C@](C)(N)CO)cc1C.
What is the InChIKey of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol?
The InChIKey is MKLQORNVDWAFJW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-9(11(3,12)6-13)10(14)5-8(7)2/h4-5,13-14H,6,12H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol?
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol is sourced from PubChem (CID 130610700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).