2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol

C11H16N2O3 — CID 71348331

IUPAC2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol
SMILESCC(c1ccccc1[N+](=O)[O-])N(C)CCO
InChIInChI=1S/C11H16N2O3/c1-9(12(2)7-8-14)10-5-3-4-6-11(10)13(15)16/h3-6,9,14H,7-8H2,1-2H3
InChIKeyOYUKJTXFUWAPBL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.58
Rot. Bonds5

About 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol

2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol (PubChem CID 71348331) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol
PubChem CID71348331
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol
SMILESCC(c1ccccc1[N+](=O)[O-])N(C)CCO
InChIInChI=1S/C11H16N2O3/c1-9(12(2)7-8-14)10-5-3-4-6-11(10)13(15)16/h3-6,9,14H,7-8H2,1-2H3
InChIKeyOYUKJTXFUWAPBL-UHFFFAOYSA-N
XLogP1.58
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.58
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

N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine
CID 62682589
2-methyl-2-[methyl-[1-(2-nitrophenyl)ethyl]amino]propanoic acid
CID 65060790
bis(2-hydroxyethyl)-methyl-[(1S)-1-(2-nitrophenyl)ethyl]azanium
CID 54363574
2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol
CID 90010714
2-methyl-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 65031967
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2-(3,4-dihydroxyphenyl)ethyl-[1-(2-nitrophenyl)ethyl]carbamic acid
CID 118173469
N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 103916425
3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride
CID 170874460
2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
CID 84749158
2-[1-(2-nitrophenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263707
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol (CID 71348331) is 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol is CC(c1ccccc1[N+](=O)[O-])N(C)CCO.
What is the InChIKey of 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol?
The InChIKey is OYUKJTXFUWAPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9(12(2)7-8-14)10-5-3-4-6-11(10)13(15)16/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol?
2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol is sourced from PubChem (CID 71348331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).