2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol

C21H32N2O2 — CID 67646691

IUPAC2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
SMILESCCN(CCO)c1cccc(C)c1.CCN(CCO)c1ccccc1
InChIInChI=1S/C11H17NO.C10H15NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11;1-2-11(8-9-12)10-6-4-3-5-7-10/h4-6,9,13H,3,7-8H2,1-2H3;3-7,12H,2,8-9H2,1H3
InChIKeyXHEXVSWALRBPCW-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.32
Rot. Bonds8

About 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol

2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol (PubChem CID 67646691) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol.

Molecular Properties

Compound Name2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
PubChem CID67646691
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
SMILESCCN(CCO)c1cccc(C)c1.CCN(CCO)c1ccccc1
InChIInChI=1S/C11H17NO.C10H15NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11;1-2-11(8-9-12)10-6-4-3-5-7-10/h4-6,9,13H,3,7-8H2,1-2H3;3-7,12H,2,8-9H2,1H3
InChIKeyXHEXVSWALRBPCW-UHFFFAOYSA-N
XLogP3.32
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol?
The IUPAC name of 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol (CID 67646691) is 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol.
What is the SMILES notation for 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol?
The canonical SMILES for 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol is CCN(CCO)c1cccc(C)c1.CCN(CCO)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol?
The InChIKey is XHEXVSWALRBPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C10H15NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11;1-2-11(8-9-12)10-6-4-3-5-7-10/h4-6,9,13H,3,7-8H2,1-2H3;3-7,12H,2,8-9H2,1H3.
What are the key properties of 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol?
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol has a molecular weight of 344.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol is sourced from PubChem (CID 67646691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).