1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine

C16H19NO — CID 125466595

IUPAC1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine
SMILESCc1cccc(CNOCc2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-13-5-3-7-15(9-13)11-17-18-12-16-8-4-6-14(2)10-16/h3-10,17H,11-12H2,1-2H3
InChIKeyXTIORTSFNGXFQB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.52
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine

1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine (PubChem CID 125466595) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine
PubChem CID125466595
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine
SMILESCc1cccc(CNOCc2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-13-5-3-7-15(9-13)11-17-18-12-16-8-4-6-14(2)10-16/h3-10,17H,11-12H2,1-2H3
InChIKeyXTIORTSFNGXFQB-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine (CID 125466595) is 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine is Cc1cccc(CNOCc2cccc(C)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine?
The InChIKey is XTIORTSFNGXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-5-3-7-15(9-13)11-17-18-12-16-8-4-6-14(2)10-16/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine?
1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine is sourced from PubChem (CID 125466595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).