N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide

C21H22N2O2 — CID 143184323

IUPACN-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide
SMILESCNc1ccc(Oc2ccccc2)cc1.Cc1cccc(NC=O)c1
InChIInChI=1S/C13H13NO.C8H9NO/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;1-7-3-2-4-8(5-7)9-6-10/h2-10,14H,1H3;2-6H,1H3,(H,9,10)
InChIKeyMBMZOWMWRZEGCD-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.08
Rot. Bonds5

About N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide

N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide (PubChem CID 143184323) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide.

Molecular Properties

Compound NameN-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide
PubChem CID143184323
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide
SMILESCNc1ccc(Oc2ccccc2)cc1.Cc1cccc(NC=O)c1
InChIInChI=1S/C13H13NO.C8H9NO/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;1-7-3-2-4-8(5-7)9-6-10/h2-10,14H,1H3;2-6H,1H3,(H,9,10)
InChIKeyMBMZOWMWRZEGCD-UHFFFAOYSA-N
XLogP5.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide?
The IUPAC name of N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide (CID 143184323) is N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide.
What is the SMILES notation for N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide?
The canonical SMILES for N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide is CNc1ccc(Oc2ccccc2)cc1.Cc1cccc(NC=O)c1.
What is the InChIKey of N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide?
The InChIKey is MBMZOWMWRZEGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C8H9NO/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;1-7-3-2-4-8(5-7)9-6-10/h2-10,14H,1H3;2-6H,1H3,(H,9,10).
What are the key properties of N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide?
N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide has a molecular weight of 334.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide is sourced from PubChem (CID 143184323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).