1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol

C11H16N2O3 — CID 6317

IUPAC1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-8(2)12-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3
InChIKeyUAORFCGRZIGNCI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.63
Rot. Bonds5

About 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol

1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 6317) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID6317
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-8(2)12-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3
InChIKeyUAORFCGRZIGNCI-UHFFFAOYSA-N
XLogP1.63
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol (CID 6317) is 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is UAORFCGRZIGNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(2)12-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3.
What are the key properties of 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol?
1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 6317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).