2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol

C12H18N2O3 — CID 156733865

IUPAC2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol
SMILESCC(CN(C)CCO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N2O3/c1-10(9-13(2)7-8-15)11-3-5-12(6-4-11)14(16)17/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMILGECMWUUDXEW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.62
Rot. Bonds6

About 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol

2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol (PubChem CID 156733865) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol
PubChem CID156733865
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol
SMILESCC(CN(C)CCO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N2O3/c1-10(9-13(2)7-8-15)11-3-5-12(6-4-11)14(16)17/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMILGECMWUUDXEW-UHFFFAOYSA-N
XLogP1.62
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
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

12-(4-nitrophenyl)tridecan-1-ol
CID 173362113
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol;nitrobenzene
CID 90851100
2-[[2-amino-1-(4-nitrophenyl)ethyl]-methylamino]ethanol
CID 82041498
2-[2-hydroxyethyl(methyl)amino]-2-(4-nitrophenyl)acetonitrile
CID 84757552
3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]-methylamino]propanoic acid
CID 82215952
2-[2-(4-nitrophenyl)propylamino]ethanol
CID 138739902
2-[bis(2-hydroxyethyl)amino]-2-(4-nitrophenyl)ethanol
CID 175350526
1-hexan-2-yl-4-nitrobenzene
CID 57119541
2-[methyl-[(R)-(4-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]amino]ethanol
CID 101398529
2-(4-nitrophenyl)propylphosphonic acid
CID 174308043
2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
CID 68609298
2-[2-hydroxyethyl(methyl)amino]-1-(3-methyl-4-nitrophenyl)ethanol
CID 70955077

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol (CID 156733865) is 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol is CC(CN(C)CCO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol?
The InChIKey is MILGECMWUUDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-10(9-13(2)7-8-15)11-3-5-12(6-4-11)14(16)17/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol?
2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol has a molecular weight of 238.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-nitrophenyl)propyl]amino]ethanol is sourced from PubChem (CID 156733865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).