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

C12H19NO2 — CID 103698714

IUPAC2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
SMILESCc1cc(O)c(CN[C@H](C)CO)cc1C
InChIInChI=1S/C12H19NO2/c1-8-4-11(6-13-10(3)7-14)12(15)5-9(8)2/h4-5,10,13-15H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyCWIORFGSWKLNEE-SNVBAGLBSA-N
MW209.29 g/mol
LogP1.48
Rot. Bonds4

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

2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol (PubChem CID 103698714) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
PubChem CID103698714
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
SMILESCc1cc(O)c(CN[C@H](C)CO)cc1C
InChIInChI=1S/C12H19NO2/c1-8-4-11(6-13-10(3)7-14)12(15)5-9(8)2/h4-5,10,13-15H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyCWIORFGSWKLNEE-SNVBAGLBSA-N
XLogP1.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.48
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-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
CID 111467132
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
2-[[(3-hydroxy-2-methylpropyl)amino]methyl]-4,5-dimethylphenol
CID 111466490
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzonitrile
CID 114479854
4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 103816362
2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 111448648
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol?
The IUPAC name of 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol (CID 103698714) is 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol?
The canonical SMILES for 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol is Cc1cc(O)c(CN[C@H](C)CO)cc1C.
What is the InChIKey of 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol?
The InChIKey is CWIORFGSWKLNEE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-4-11(6-13-10(3)7-14)12(15)5-9(8)2/h4-5,10,13-15H,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol?
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol has a molecular weight of 209.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol is sourced from PubChem (CID 103698714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).