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

C10H15NO3 — CID 101326279

IUPAC2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
SMILESCc1ccc(O)c(CNCC(O)O)c1
InChIInChI=1S/C10H15NO3/c1-7-2-3-9(12)8(4-7)5-11-6-10(13)14/h2-4,10-14H,5-6H2,1H3
InChIKeyBFZREBOYYOFDHQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.10
Rot. Bonds4

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

2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol (PubChem CID 101326279) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
PubChem CID101326279
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
SMILESCc1ccc(O)c(CNCC(O)O)c1
InChIInChI=1S/C10H15NO3/c1-7-2-3-9(12)8(4-7)5-11-6-10(13)14/h2-4,10-14H,5-6H2,1H3
InChIKeyBFZREBOYYOFDHQ-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
2-[(2,2-diethoxyethylamino)methyl]-4-methylphenol
CID 78960001
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111448950
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111449320
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272
2-[(5-heptyl-2-hydroxyphenyl)methylamino]ethane-1,1-diol
CID 101326315
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol (CID 101326279) is 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol is Cc1ccc(O)c(CNCC(O)O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol?
The InChIKey is BFZREBOYYOFDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-2-3-9(12)8(4-7)5-11-6-10(13)14/h2-4,10-14H,5-6H2,1H3.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol?
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-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 2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol is sourced from PubChem (CID 101326279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).