2-(2-hydroxyethylamino)ethanol;1,2-xylene

C12H21NO2 — CID 174810256

IUPAC2-(2-hydroxyethylamino)ethanol;1,2-xylene
SMILESCc1ccccc1C.OCCNCCO
InChIInChI=1S/C8H10.C4H11NO2/c1-7-5-3-4-6-8(7)2;6-3-1-5-2-4-7/h3-6H,1-2H3;5-7H,1-4H2
InChIKeyGEBMUDPCKCHIGT-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.86
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanol;1,2-xylene

2-(2-hydroxyethylamino)ethanol;1,2-xylene (PubChem CID 174810256) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;1,2-xylene.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;1,2-xylene
PubChem CID174810256
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-(2-hydroxyethylamino)ethanol;1,2-xylene
SMILESCc1ccccc1C.OCCNCCO
InChIInChI=1S/C8H10.C4H11NO2/c1-7-5-3-4-6-8(7)2;6-3-1-5-2-4-7/h3-6H,1-2H3;5-7H,1-4H2
InChIKeyGEBMUDPCKCHIGT-UHFFFAOYSA-N
XLogP0.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylamino)ethanol;1,2-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol
CID 143010811
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
1,2-xylene
CID 173422016
2-[(2-chloro-6-methylphenyl)methylamino]ethanol
CID 54352748
2-[2-(2,6-dimethylphenyl)hydrazinyl]ethanol
CID 13200571
2-(3-phenylpropylamino)ethanol
CID 19012091
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
2-[3-(2-chlorophenyl)propylamino]ethanol
CID 70464320
2-(2-hydroxyethylamino)ethanol;[(1S)-1-phenylethyl]boronic acid
CID 121012623
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
CID 160914011

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;1,2-xylene?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;1,2-xylene (CID 174810256) is 2-(2-hydroxyethylamino)ethanol;1,2-xylene.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;1,2-xylene?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;1,2-xylene is Cc1ccccc1C.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;1,2-xylene?
The InChIKey is GEBMUDPCKCHIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H11NO2/c1-7-5-3-4-6-8(7)2;6-3-1-5-2-4-7/h3-6H,1-2H3;5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;1,2-xylene?
2-(2-hydroxyethylamino)ethanol;1,2-xylene has a molecular weight of 211.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;1,2-xylene is sourced from PubChem (CID 174810256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).