2-(methylamino)-1-(3-nitrosophenyl)ethanol

C9H12N2O2 — CID 143634279

IUPAC2-(methylamino)-1-(3-nitrosophenyl)ethanol
SMILESCNCC(O)c1cccc(N=O)c1
InChIInChI=1S/C9H12N2O2/c1-10-6-9(12)7-3-2-4-8(5-7)11-13/h2-5,9-10,12H,6H2,1H3
InChIKeyOTAUSNOPNUOFKT-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.34
Rot. Bonds4

About 2-(methylamino)-1-(3-nitrosophenyl)ethanol

2-(methylamino)-1-(3-nitrosophenyl)ethanol (PubChem CID 143634279) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(methylamino)-1-(3-nitrosophenyl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(3-nitrosophenyl)ethanol
PubChem CID143634279
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(methylamino)-1-(3-nitrosophenyl)ethanol
SMILESCNCC(O)c1cccc(N=O)c1
InChIInChI=1S/C9H12N2O2/c1-10-6-9(12)7-3-2-4-8(5-7)11-13/h2-5,9-10,12H,6H2,1H3
InChIKeyOTAUSNOPNUOFKT-UHFFFAOYSA-N
XLogP1.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(methylamino)-1-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117360561
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol
CID 117301973
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
1-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]-2-methylpyrazolidin-3-one
CID 117376612
N-[1-(3-nitrosophenyl)butyl]acetamide
CID 89044099
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3-nitrosophenyl)ethanol?
The IUPAC name of 2-(methylamino)-1-(3-nitrosophenyl)ethanol (CID 143634279) is 2-(methylamino)-1-(3-nitrosophenyl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(3-nitrosophenyl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(3-nitrosophenyl)ethanol is CNCC(O)c1cccc(N=O)c1.
What is the InChIKey of 2-(methylamino)-1-(3-nitrosophenyl)ethanol?
The InChIKey is OTAUSNOPNUOFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-6-9(12)7-3-2-4-8(5-7)11-13/h2-5,9-10,12H,6H2,1H3.
What are the key properties of 2-(methylamino)-1-(3-nitrosophenyl)ethanol?
2-(methylamino)-1-(3-nitrosophenyl)ethanol has a molecular weight of 180.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3-nitrosophenyl)ethanol is sourced from PubChem (CID 143634279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).