ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol

C13H23NO2 — CID 143917087

IUPACethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCC.Cc1cccc(N(CCO)CCO)c1
InChIInChI=1S/C11H17NO2.C2H6/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14;1-2/h2-4,9,13-14H,5-8H2,1H3;1-2H3
InChIKeyYRKJHCWKRBOMJK-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.81
Rot. Bonds5

About ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol

ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol (PubChem CID 143917087) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol.

Molecular Properties

Compound Nameethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
PubChem CID143917087
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCC.Cc1cccc(N(CCO)CCO)c1
InChIInChI=1S/C11H17NO2.C2H6/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14;1-2/h2-4,9,13-14H,5-8H2,1H3;1-2H3
InChIKeyYRKJHCWKRBOMJK-UHFFFAOYSA-N
XLogP1.81
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
CID 91509745
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
dimethyl(phenyl)phosphane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 118588489
CID 138691667
CID 138691667
N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide
CID 70276550
N,N-dibutyl-3-methylaniline
CID 15332677
3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide
CID 110935979
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494

Frequently Asked Questions

What is the IUPAC name of ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The IUPAC name of ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol (CID 143917087) is ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol.
What is the SMILES notation for ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The canonical SMILES for ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol is CC.Cc1cccc(N(CCO)CCO)c1.
What is the InChIKey of ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The InChIKey is YRKJHCWKRBOMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14;1-2/h2-4,9,13-14H,5-8H2,1H3;1-2H3.
What are the key properties of ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol?
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol has a molecular weight of 225.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol is sourced from PubChem (CID 143917087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).