2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone

C12H17NO3 — CID 118894768

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
SMILESO=C(CNCCOCCO)c1ccccc1
InChIInChI=1S/C12H17NO3/c14-7-9-16-8-6-13-10-12(15)11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyCCVFZQJAYHPMGT-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.47
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone

2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone (PubChem CID 118894768) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
PubChem CID118894768
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
SMILESO=C(CNCCOCCO)c1ccccc1
InChIInChI=1S/C12H17NO3/c14-7-9-16-8-6-13-10-12(15)11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyCCVFZQJAYHPMGT-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82258219
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102049
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate
CID 11460698
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102314
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
2-[[2-(2-hydroxyethoxy)ethylamino]methyl]benzoic acid
CID 17156841
2-(aminomethylamino)-1-phenylethanone
CID 59627873
2-[2-(2-hydroxyethoxy)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 55024321
2-(hexylamino)-1-phenylethanone
CID 82101185

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone (CID 118894768) is 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone is O=C(CNCCOCCO)c1ccccc1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone?
The InChIKey is CCVFZQJAYHPMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-7-9-16-8-6-13-10-12(15)11-4-2-1-3-5-11/h1-5,13-14H,6-10H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone?
2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone has a molecular weight of 223.27 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone is sourced from PubChem (CID 118894768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).