2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol

C11H17NO2 — CID 130059979

IUPAC2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
SMILESCc1ccc(C)c(C(N)C(C)O)c1O
InChIInChI=1S/C11H17NO2/c1-6-4-5-7(2)11(14)9(6)10(12)8(3)13/h4-5,8,10,13-14H,12H2,1-3H3
InChIKeyMXQGVJQWLYVSSV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds2

About 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol

2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol (PubChem CID 130059979) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
PubChem CID130059979
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
SMILESCc1ccc(C)c(C(N)C(C)O)c1O
InChIInChI=1S/C11H17NO2/c1-6-4-5-7(2)11(14)9(6)10(12)8(3)13/h4-5,8,10,13-14H,12H2,1-3H3
InChIKeyMXQGVJQWLYVSSV-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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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Related Compounds

2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol
CID 130655554
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol
CID 130692005
6-amino-2-[(1S)-1-amino-2,2-difluoroethyl]-3-methylphenol
CID 131219013
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
2-[(1R)-1-amino-2,2-difluoroethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253959
2-[(1R)-1-amino-2,2-difluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253538

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol (CID 130059979) is 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol is Cc1ccc(C)c(C(N)C(C)O)c1O.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol?
The InChIKey is MXQGVJQWLYVSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-4-5-7(2)11(14)9(6)10(12)8(3)13/h4-5,8,10,13-14H,12H2,1-3H3.
What are the key properties of 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol?
2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol is sourced from PubChem (CID 130059979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).