1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone

C12H18N2O3 — CID 82258219

IUPAC1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
SMILESNc1ccc(C(=O)CNCCOCCO)cc1
InChIInChI=1S/C12H18N2O3/c13-11-3-1-10(2-4-11)12(16)9-14-5-7-17-8-6-15/h1-4,14-15H,5-9,13H2
InChIKeyIDNFSUCSHFZUQW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.05
Rot. Bonds8

About 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone

1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone (PubChem CID 82258219) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
PubChem CID82258219
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
SMILESNc1ccc(C(=O)CNCCOCCO)cc1
InChIInChI=1S/C12H18N2O3/c13-11-3-1-10(2-4-11)12(16)9-14-5-7-17-8-6-15/h1-4,14-15H,5-9,13H2
InChIKeyIDNFSUCSHFZUQW-UHFFFAOYSA-N
XLogP0.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
CID 118894768
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102314
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102049
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 62499083
benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate
CID 11460698
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 156883008
4-aminobenzoic acid;2-(2-phenoxyethoxy)ethanol
CID 71320764
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101293
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone (CID 82258219) is 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone is Nc1ccc(C(=O)CNCCOCCO)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The InChIKey is IDNFSUCSHFZUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-11-3-1-10(2-4-11)12(16)9-14-5-7-17-8-6-15/h1-4,14-15H,5-9,13H2.
What are the key properties of 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone has a molecular weight of 238.29 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone is sourced from PubChem (CID 82258219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).