2-(3-amino-4-methoxy-5-methylanilino)ethanol

C10H16N2O2 — CID 143181854

IUPAC2-(3-amino-4-methoxy-5-methylanilino)ethanol
SMILESCOc1c(C)cc(NCCO)cc1N
InChIInChI=1S/C10H16N2O2/c1-7-5-8(12-3-4-13)6-9(11)10(7)14-2/h5-6,12-13H,3-4,11H2,1-2H3
InChIKeyGZSJCMYCVZLENA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.99
Rot. Bonds4

About 2-(3-amino-4-methoxy-5-methylanilino)ethanol

2-(3-amino-4-methoxy-5-methylanilino)ethanol (PubChem CID 143181854) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-amino-4-methoxy-5-methylanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-4-methoxy-5-methylanilino)ethanol
PubChem CID143181854
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(3-amino-4-methoxy-5-methylanilino)ethanol
SMILESCOc1c(C)cc(NCCO)cc1N
InChIInChI=1S/C10H16N2O2/c1-7-5-8(12-3-4-13)6-9(11)10(7)14-2/h5-6,12-13H,3-4,11H2,1-2H3
InChIKeyGZSJCMYCVZLENA-UHFFFAOYSA-N
XLogP0.99
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-amino-4-methoxy-5-methylanilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
2-[3-(2-hydroxyethylamino)-4-methoxy-5-methylanilino]ethanol;2-[3-(2-hydroxyethylamino)-2-methylanilino]ethanol
CID 68517296
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
2-(2-methoxy-3,5-dimethylanilino)ethanol
CID 82491310
N'-(4-methoxy-3,5-dimethylphenyl)methanediamine
CID 115225476
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
2-amino-4-(4-methoxy-3,5-dimethylanilino)butanoic acid
CID 115241061
2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
CID 159575611
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
2-[3-amino-5-fluoro-4-(methylamino)anilino]ethanol
CID 167112532

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxy-5-methylanilino)ethanol?
The IUPAC name of 2-(3-amino-4-methoxy-5-methylanilino)ethanol (CID 143181854) is 2-(3-amino-4-methoxy-5-methylanilino)ethanol.
What is the SMILES notation for 2-(3-amino-4-methoxy-5-methylanilino)ethanol?
The canonical SMILES for 2-(3-amino-4-methoxy-5-methylanilino)ethanol is COc1c(C)cc(NCCO)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxy-5-methylanilino)ethanol?
The InChIKey is GZSJCMYCVZLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-5-8(12-3-4-13)6-9(11)10(7)14-2/h5-6,12-13H,3-4,11H2,1-2H3.
What are the key properties of 2-(3-amino-4-methoxy-5-methylanilino)ethanol?
2-(3-amino-4-methoxy-5-methylanilino)ethanol has a molecular weight of 196.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxy-5-methylanilino)ethanol is sourced from PubChem (CID 143181854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).