(2-methoxy-5-phenylanilino)azanium chloride

C13H15ClN2O — CID 11368724

IUPAC(2-methoxy-5-phenylanilino)azanium chloride
SMILESCOc1ccc(-c2ccccc2)cc1N[NH3+].[Cl-]
InChIInChI=1S/C13H14N2O.ClH/c1-16-13-8-7-11(9-12(13)15-14)10-5-3-2-4-6-10;/h2-9,15H,14H2,1H3;1H
InChIKeyJKOWBWSGMMKFJG-UHFFFAOYSA-N
MW250.73 g/mol
LogP-1.07
Rot. Bonds3

About (2-methoxy-5-phenylanilino)azanium chloride

(2-methoxy-5-phenylanilino)azanium chloride (PubChem CID 11368724) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is (2-methoxy-5-phenylanilino)azanium chloride.

Molecular Properties

Compound Name(2-methoxy-5-phenylanilino)azanium chloride
PubChem CID11368724
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name(2-methoxy-5-phenylanilino)azanium chloride
SMILESCOc1ccc(-c2ccccc2)cc1N[NH3+].[Cl-]
InChIInChI=1S/C13H14N2O.ClH/c1-16-13-8-7-11(9-12(13)15-14)10-5-3-2-4-6-10;/h2-9,15H,14H2,1H3;1H
InChIKeyJKOWBWSGMMKFJG-UHFFFAOYSA-N
XLogP-1.07
TPSA48.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2,2-dimethylpropylideneamino]-2-methoxy-5-phenylaniline;methylsulfanylmethane
CID 142191077
2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
CID 2846564
N'-(2-methoxy-5-phenylphenyl)-2-methylpropanehydrazide
CID 11471634
1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea
CID 2237740
N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
CID 2245086
N-(2-methoxy-5-phenylphenyl)-1H-imidazole-2-carboxamide
CID 86010017
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
CID 2847498
2-bromo-1-methoxy-4-phenylbenzene;2-bromo-4-phenylphenol
CID 158310108
CID 175508385
CID 175508385
1-methoxy-4-phenyl-2-(2-phenylethynyl)benzene
CID 68910717
N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine
CID 2847340
1,1-bis(2-cyanoethyl)-3-(2-methoxy-5-phenylphenyl)thiourea
CID 5006922

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-phenylanilino)azanium chloride?
The IUPAC name of (2-methoxy-5-phenylanilino)azanium chloride (CID 11368724) is (2-methoxy-5-phenylanilino)azanium chloride.
What is the SMILES notation for (2-methoxy-5-phenylanilino)azanium chloride?
The canonical SMILES for (2-methoxy-5-phenylanilino)azanium chloride is COc1ccc(-c2ccccc2)cc1N[NH3+].[Cl-].
What is the InChIKey of (2-methoxy-5-phenylanilino)azanium chloride?
The InChIKey is JKOWBWSGMMKFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c1-16-13-8-7-11(9-12(13)15-14)10-5-3-2-4-6-10;/h2-9,15H,14H2,1H3;1H.
What are the key properties of (2-methoxy-5-phenylanilino)azanium chloride?
(2-methoxy-5-phenylanilino)azanium chloride has a molecular weight of 250.73 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-phenylanilino)azanium chloride is sourced from PubChem (CID 11368724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).