2-[1-(3-nitrophenyl)ethylamino]ethanol

C10H14N2O3 — CID 43089007

IUPAC2-[1-(3-nitrophenyl)ethylamino]ethanol
SMILESCC(NCCO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O3/c1-8(11-5-6-13)9-3-2-4-10(7-9)12(14)15/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyQFUSQBAIJZLQPX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.24
Rot. Bonds5

About 2-[1-(3-nitrophenyl)ethylamino]ethanol

2-[1-(3-nitrophenyl)ethylamino]ethanol (PubChem CID 43089007) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[1-(3-nitrophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(3-nitrophenyl)ethylamino]ethanol
PubChem CID43089007
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[1-(3-nitrophenyl)ethylamino]ethanol
SMILESCC(NCCO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O3/c1-8(11-5-6-13)9-3-2-4-10(7-9)12(14)15/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyQFUSQBAIJZLQPX-UHFFFAOYSA-N
XLogP1.24
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
4-[1-(3-nitrophenyl)ethylamino]butan-2-ol
CID 64912592
N-[1-(3-nitrophenyl)ethyl]butan-1-amine
CID 43180605
N',N'-dimethyl-N-[1-(3-nitrophenyl)ethyl]propane-1,3-diamine
CID 43180684
2-[1-(3-nitrophenyl)ethylamino]ethylurea
CID 83110972
1-(3-nitrophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 115900293
N-[1-(3-nitrophenyl)ethyl]pent-4-yn-1-amine
CID 113247041
3-[1-(3-nitrophenyl)ethylamino]propanenitrile
CID 43183235
N-(2-methylsulfinylethyl)-1-(3-nitrophenyl)ethanamine
CID 113247006
N'-methyl-N-[1-(3-nitrophenyl)ethyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103716757
2-[1-(3-nitrophenyl)butylamino]ethanol
CID 43151078

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-nitrophenyl)ethylamino]ethanol?
The IUPAC name of 2-[1-(3-nitrophenyl)ethylamino]ethanol (CID 43089007) is 2-[1-(3-nitrophenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(3-nitrophenyl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(3-nitrophenyl)ethylamino]ethanol is CC(NCCO)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[1-(3-nitrophenyl)ethylamino]ethanol?
The InChIKey is QFUSQBAIJZLQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8(11-5-6-13)9-3-2-4-10(7-9)12(14)15/h2-4,7-8,11,13H,5-6H2,1H3.
What are the key properties of 2-[1-(3-nitrophenyl)ethylamino]ethanol?
2-[1-(3-nitrophenyl)ethylamino]ethanol has a molecular weight of 210.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-nitrophenyl)ethylamino]ethanol is sourced from PubChem (CID 43089007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).