2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol

C12H19NO3 — CID 163824438

IUPAC2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol
SMILESCOc1cc(C)ccc1N(CCO)CCO
InChIInChI=1S/C12H19NO3/c1-10-3-4-11(12(9-10)16-2)13(5-7-14)6-8-15/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyNYFFVRPSTJHKDF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.79
Rot. Bonds6

About 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol

2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol (PubChem CID 163824438) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol
PubChem CID163824438
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol
SMILESCOc1cc(C)ccc1N(CCO)CCO
InChIInChI=1S/C12H19NO3/c1-10-3-4-11(12(9-10)16-2)13(5-7-14)6-8-15/h3-4,9,14-15H,5-8H2,1-2H3
InChIKeyNYFFVRPSTJHKDF-UHFFFAOYSA-N
XLogP0.79
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-N,4-dimethylaniline
CID 90305517
2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline
CID 161365967
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile
CID 156774848
tris(2-hydroxyethyl)-[2-[2-[2-methoxy-5-methyl-N-[2-[2-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]ethoxy]ethyl]anilino]ethoxy]ethyl]azanium
CID 140580932
N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide
CID 143987774
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
CID 57325233
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 107481289
3-[N-(2-cyanoethyl)-2-methoxy-5-methylanilino]propanenitrile
CID 21455630
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol (CID 163824438) is 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol is COc1cc(C)ccc1N(CCO)CCO.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol?
The InChIKey is NYFFVRPSTJHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10-3-4-11(12(9-10)16-2)13(5-7-14)6-8-15/h3-4,9,14-15H,5-8H2,1-2H3.
What are the key properties of 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol?
2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol is sourced from PubChem (CID 163824438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).