2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid

C12H19NO4 — CID 86076042

IUPAC2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.OCCNCCO
InChIInChI=1S/C8H8O2.C4H11NO2/c9-8(10)6-7-4-2-1-3-5-7;6-3-1-5-2-4-7/h1-5H,6H2,(H,9,10);5-7H,1-4H2
InChIKeyMLBRIYOPZPKCCU-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.13
Rot. Bonds6

About 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid

2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid (PubChem CID 86076042) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid
PubChem CID86076042
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.OCCNCCO
InChIInChI=1S/C8H8O2.C4H11NO2/c9-8(10)6-7-4-2-1-3-5-7;6-3-1-5-2-4-7/h1-5H,6H2,(H,9,10);5-7H,1-4H2
InChIKeyMLBRIYOPZPKCCU-UHFFFAOYSA-N
XLogP-0.13
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenylacetic acid;propanedioic acid
CID 159349511
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
N-ethylethanamine;2-phenylacetic acid
CID 143630479
naphthalene;2-phenylacetic acid
CID 174965541
2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
chloro hypochlorite;2-phenylacetic acid
CID 174297587
2-(3-phenylpropylamino)ethanol
CID 19012091

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid (CID 86076042) is 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid is O=C(O)Cc1ccccc1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid?
The InChIKey is MLBRIYOPZPKCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H11NO2/c9-8(10)6-7-4-2-1-3-5-7;6-3-1-5-2-4-7/h1-5H,6H2,(H,9,10);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid?
2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid has a molecular weight of 241.29 g/mol, XLogP of -0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid is sourced from PubChem (CID 86076042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).