2-(methylamino)-1-(4-nitrophenyl)ethanol

C9H12N2O3 — CID 2817718

IUPAC2-(methylamino)-1-(4-nitrophenyl)ethanol
SMILESCNCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3/c1-10-6-9(12)7-2-4-8(5-3-7)11(13)14/h2-5,9-10,12H,6H2,1H3
InChIKeyCCRPAZWXXRIRRS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.85
Rot. Bonds4

About 2-(methylamino)-1-(4-nitrophenyl)ethanol

2-(methylamino)-1-(4-nitrophenyl)ethanol (PubChem CID 2817718) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(4-nitrophenyl)ethanol
PubChem CID2817718
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(methylamino)-1-(4-nitrophenyl)ethanol
SMILESCNCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3/c1-10-6-9(12)7-2-4-8(5-3-7)11(13)14/h2-5,9-10,12H,6H2,1H3
InChIKeyCCRPAZWXXRIRRS-UHFFFAOYSA-N
XLogP0.85
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.85
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

Chloramphenicol
CID 5959
Sotalol
CID 5253
(RS)-Nifenalol
CID 6317
(+)-Chloramphenicol
CID 92099
2,2-dichloro-N-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)acetamide
CID 298
Azidamfenicol
CID 62858
Chloramphenicol base
CID 69745
N-Acetyl-4-nitrophenylserinol
CID 4335
2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CID 92743
(1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CID 224171
Dexsotalol
CID 119259
1-(4-Nitrophenyl)glycerol
CID 102764

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-(methylamino)-1-(4-nitrophenyl)ethanol (CID 2817718) is 2-(methylamino)-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(4-nitrophenyl)ethanol is CNCC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(methylamino)-1-(4-nitrophenyl)ethanol?
The InChIKey is CCRPAZWXXRIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-6-9(12)7-2-4-8(5-3-7)11(13)14/h2-5,9-10,12H,6H2,1H3.
What are the key properties of 2-(methylamino)-1-(4-nitrophenyl)ethanol?
2-(methylamino)-1-(4-nitrophenyl)ethanol has a molecular weight of 196.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 2817718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).