2-(2-methoxy-5-methylanilino)ethane-1,1-diol

C10H15NO3 — CID 154118802

IUPAC2-(2-methoxy-5-methylanilino)ethane-1,1-diol
SMILESCOc1ccc(C)cc1NCC(O)O
InChIInChI=1S/C10H15NO3/c1-7-3-4-9(14-2)8(5-7)11-6-10(12)13/h3-5,10-13H,6H2,1-2H3
InChIKeyOCPIXYZGDKLHSF-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.73
Rot. Bonds4

About 2-(2-methoxy-5-methylanilino)ethane-1,1-diol

2-(2-methoxy-5-methylanilino)ethane-1,1-diol (PubChem CID 154118802) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)ethane-1,1-diol.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)ethane-1,1-diol
PubChem CID154118802
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(2-methoxy-5-methylanilino)ethane-1,1-diol
SMILESCOc1ccc(C)cc1NCC(O)O
InChIInChI=1S/C10H15NO3/c1-7-3-4-9(14-2)8(5-7)11-6-10(12)13/h3-5,10-13H,6H2,1-2H3
InChIKeyOCPIXYZGDKLHSF-UHFFFAOYSA-N
XLogP0.73
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
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

1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925
1-(3-bromophenyl)-2-(2-methoxy-5-methylanilino)ethanol
CID 60898693
2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
CID 60679323
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79019437
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(E)-4-chlorobut-2-enyl]-2-methoxy-5-methylaniline
CID 81429521

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)ethane-1,1-diol?
The IUPAC name of 2-(2-methoxy-5-methylanilino)ethane-1,1-diol (CID 154118802) is 2-(2-methoxy-5-methylanilino)ethane-1,1-diol.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)ethane-1,1-diol?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)ethane-1,1-diol is COc1ccc(C)cc1NCC(O)O.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)ethane-1,1-diol?
The InChIKey is OCPIXYZGDKLHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-3-4-9(14-2)8(5-7)11-6-10(12)13/h3-5,10-13H,6H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylanilino)ethane-1,1-diol?
2-(2-methoxy-5-methylanilino)ethane-1,1-diol has a molecular weight of 197.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)ethane-1,1-diol is sourced from PubChem (CID 154118802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).