potassium N-methyl-3-(phenoxy)aniline

C13H12KNO — CID 162523156

IUPACpotassium N-methyl-3-(phenoxy)aniline
SMILESCNc1cccc(Oc2c[c-]ccc2)c1.[K+]
InChIInChI=1S/C13H12NO.K/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12;/h2-3,5-10,14H,1H3;/q-1;+1
InChIKeyIDVZATDXYZCIBP-UHFFFAOYSA-N
MW237.34 g/mol
LogP0.32
Rot. Bonds3

About potassium N-methyl-3-(phenoxy)aniline

potassium N-methyl-3-(phenoxy)aniline (PubChem CID 162523156) has the molecular formula C13H12KNO and a molecular weight of 237.34 g/mol. Its IUPAC name is potassium N-methyl-3-(phenoxy)aniline.

Molecular Properties

Compound Namepotassium N-methyl-3-(phenoxy)aniline
PubChem CID162523156
Molecular FormulaC13H12KNO
Molecular Weight237.34 g/mol
Exact Mass237.06
IUPAC Namepotassium N-methyl-3-(phenoxy)aniline
SMILESCNc1cccc(Oc2c[c-]ccc2)c1.[K+]
InChIInChI=1S/C13H12NO.K/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12;/h2-3,5-10,14H,1H3;/q-1;+1
InChIKeyIDVZATDXYZCIBP-UHFFFAOYSA-N
XLogP0.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,2-dimethylpropoxymethyl)phenoxy]-N-methylaniline
CID 134583052
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
N-methyl-2-(3-phenoxyphenoxy)pyridin-4-amine
CID 175086135
N-methoxy-3-phenoxyaniline
CID 90688975
3-[4-[5-[4-[3-(methylamino)phenoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]aniline
CID 123635103
1-amino-2-[3-(methylamino)phenoxy]ethanol
CID 66691374
2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831
N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
3-hex-4-ynoxy-N-methylaniline
CID 68734426
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110912668
3-fluoro-N-methylaniline
CID 2759011
3-iodo-N-methylaniline
CID 11075306

Frequently Asked Questions

What is the IUPAC name of potassium N-methyl-3-(phenoxy)aniline?
The IUPAC name of potassium N-methyl-3-(phenoxy)aniline (CID 162523156) is potassium N-methyl-3-(phenoxy)aniline.
What is the SMILES notation for potassium N-methyl-3-(phenoxy)aniline?
The canonical SMILES for potassium N-methyl-3-(phenoxy)aniline is CNc1cccc(Oc2c[c-]ccc2)c1.[K+].
What is the InChIKey of potassium N-methyl-3-(phenoxy)aniline?
The InChIKey is IDVZATDXYZCIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO.K/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12;/h2-3,5-10,14H,1H3;/q-1;+1.
What are the key properties of potassium N-methyl-3-(phenoxy)aniline?
potassium N-methyl-3-(phenoxy)aniline has a molecular weight of 237.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-methyl-3-(phenoxy)aniline is sourced from PubChem (CID 162523156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).