1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol

C10H15NO3 — CID 101326283

IUPAC1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol
SMILESCc1ccc(O)cc1CNC(O)CO
InChIInChI=1S/C10H15NO3/c1-7-2-3-9(13)4-8(7)5-11-10(14)6-12/h2-4,10-14H,5-6H2,1H3
InChIKeyIYUGOIOJKUFWHO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.10
Rot. Bonds4

About 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol

1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol (PubChem CID 101326283) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol
PubChem CID101326283
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol
SMILESCc1ccc(O)cc1CNC(O)CO
InChIInChI=1S/C10H15NO3/c1-7-2-3-9(13)4-8(7)5-11-10(14)6-12/h2-4,10-14H,5-6H2,1H3
InChIKeyIYUGOIOJKUFWHO-UHFFFAOYSA-N
XLogP0.10
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 103816362
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725
ethane;3-ethyl-4-methylphenol;2-methylbutane;propane
CID 142020100
3-[(3S)-3-aminobutyl]-4-methylphenol
CID 130741104
3-(3-aminobutyl)-4-methylphenol
CID 130001431
4-methyl-3-(2,2,2-trifluoroethyl)phenol
CID 16756490
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
3-but-3-enyl-4-methylphenol
CID 59165328
3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122127
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 111448648
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol?
The IUPAC name of 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol (CID 101326283) is 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol.
What is the SMILES notation for 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol?
The canonical SMILES for 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol is Cc1ccc(O)cc1CNC(O)CO.
What is the InChIKey of 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol?
The InChIKey is IYUGOIOJKUFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-2-3-9(13)4-8(7)5-11-10(14)6-12/h2-4,10-14H,5-6H2,1H3.
What are the key properties of 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol?
1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxy-2-methylphenyl)methylamino]ethane-1,2-diol is sourced from PubChem (CID 101326283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).