2-[2-(4-nitrophenyl)propylamino]ethanol

C11H16N2O3 — CID 138739902

IUPAC2-[2-(4-nitrophenyl)propylamino]ethanol
SMILESCC(CNCCO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-9(8-12-6-7-14)10-2-4-11(5-3-10)13(15)16/h2-5,9,12,14H,6-8H2,1H3
InChIKeyZKTFZQIXDBWKTA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.28
Rot. Bonds6

About 2-[2-(4-nitrophenyl)propylamino]ethanol

2-[2-(4-nitrophenyl)propylamino]ethanol (PubChem CID 138739902) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)propylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)propylamino]ethanol
PubChem CID138739902
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[2-(4-nitrophenyl)propylamino]ethanol
SMILESCC(CNCCO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-9(8-12-6-7-14)10-2-4-11(5-3-10)13(15)16/h2-5,9,12,14H,6-8H2,1H3
InChIKeyZKTFZQIXDBWKTA-UHFFFAOYSA-N
XLogP1.28
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-nitrophenyl)-N-propylpropan-1-amine
CID 118149789
12-(4-nitrophenyl)tridecan-1-ol
CID 173362113
2-[[(S)-hydroxy-(4-nitrophenyl)methyl]amino]ethanol
CID 169208839
2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
CID 113220606
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
2-(2-hydroxyethylamino)-2-(4-nitrophenyl)ethanol
CID 67119722
2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol
CID 156733865
2-bromo-2,2-difluoro-N-[2-(4-nitrophenyl)propyl]acetamide
CID 4702443
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
CID 2211824
N-[2-(4-nitrophenyl)propyl]pyridin-4-amine
CID 57024539
2-(4-nitrophenyl)propylphosphonic acid
CID 174308043
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)propylamino]ethanol?
The IUPAC name of 2-[2-(4-nitrophenyl)propylamino]ethanol (CID 138739902) is 2-[2-(4-nitrophenyl)propylamino]ethanol.
What is the SMILES notation for 2-[2-(4-nitrophenyl)propylamino]ethanol?
The canonical SMILES for 2-[2-(4-nitrophenyl)propylamino]ethanol is CC(CNCCO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(4-nitrophenyl)propylamino]ethanol?
The InChIKey is ZKTFZQIXDBWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9(8-12-6-7-14)10-2-4-11(5-3-10)13(15)16/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 2-[2-(4-nitrophenyl)propylamino]ethanol?
2-[2-(4-nitrophenyl)propylamino]ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenyl)propylamino]ethanol is sourced from PubChem (CID 138739902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).