acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol

C12H19NO4 — CID 22412424

IUPACacetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(=O)O.OCCN(CCO)c1ccccc1
InChIInChI=1S/C10H15NO2.C2H4O2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;1-2(3)4/h1-5,12-13H,6-9H2;1H3,(H,3,4)
InChIKeyPEJBIWBABMGJPD-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.57
Rot. Bonds5

About acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol

acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 22412424) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
PubChem CID22412424
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nameacetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(=O)O.OCCN(CCO)c1ccccc1
InChIInChI=1S/C10H15NO2.C2H4O2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;1-2(3)4/h1-5,12-13H,6-9H2;1H3,(H,3,4)
InChIKeyPEJBIWBABMGJPD-UHFFFAOYSA-N
XLogP0.57
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N-benzyl-2-[N-(2-hydroxyethyl)anilino]-N-methylacetamide
CID 110877169
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
2-[N-(4-methoxybutyl)anilino]ethanol
CID 111544024
3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one
CID 46912302
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
3-[bis(2-hydroxyethyl)amino]-N-phenylbenzamide
CID 54334365
3-(N-propylanilino)propan-1-ol
CID 101291000
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
2-[4-(2,3-dioxobutyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide
CID 159346276

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol (CID 22412424) is acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol is CC(=O)O.OCCN(CCO)c1ccccc1.
What is the InChIKey of acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is PEJBIWBABMGJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H4O2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;1-2(3)4/h1-5,12-13H,6-9H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol?
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 241.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 22412424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).