2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol

C10H14N2O4 — CID 67119722

IUPAC2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(CO)NCCO)cc1
InChIInChI=1S/C10H14N2O4/c13-6-5-11-10(7-14)8-1-3-9(4-2-8)12(15)16/h1-4,10-11,13-14H,5-7H2
InChIKeyHSRUQNTWIXSGSN-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.21
Rot. Bonds6

About 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol

2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol (PubChem CID 67119722) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol
PubChem CID67119722
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(CO)NCCO)cc1
InChIInChI=1S/C10H14N2O4/c13-6-5-11-10(7-14)8-1-3-9(4-2-8)12(15)16/h1-4,10-11,13-14H,5-7H2
InChIKeyHSRUQNTWIXSGSN-UHFFFAOYSA-N
XLogP0.21
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(S)-hydroxy-(4-nitrophenyl)methyl]amino]ethanol
CID 169208839
(2S)-2-(methylamino)-2-(4-nitrophenyl)ethanol
CID 55276773
2-(4-fluoroanilino)-2-(4-nitrophenyl)ethanol
CID 75238031
2-[2-(4-nitrophenyl)propylamino]ethanol
CID 138739902
(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100
2-[2-hydroxy-1-(4-nitrophenyl)ethyl]sulfanyl-2-(4-nitrophenyl)ethanol
CID 54510850
2-nitro-1-(4-nitrophenyl)propane-1,3-diol
CID 13468905
2-[1-(3-nitrophenyl)butylamino]ethanol
CID 43151078
(4R)-4-(4-nitroanilino)-4-phenylbutan-1-ol
CID 95775382
2-[bis(2-hydroxyethyl)amino]-2-(4-nitrophenyl)ethanol
CID 175350526
(1S,2S)-2-(ethylamino)-1-(4-nitrophenyl)propane-1,3-diol;propane
CID 159352873
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol (CID 67119722) is 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(C(CO)NCCO)cc1.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol?
The InChIKey is HSRUQNTWIXSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-6-5-11-10(7-14)8-1-3-9(4-2-8)12(15)16/h1-4,10-11,13-14H,5-7H2.
What are the key properties of 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol?
2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol has a molecular weight of 226.23 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol is sourced from PubChem (CID 67119722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).