N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline

C15H18N2 — CID 15735

IUPACN-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
SMILESCNc1ccc(Cc2ccc(NC)cc2)cc1
InChIInChI=1S/C15H18N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10,16-17H,11H2,1-2H3
InChIKeyZMVMYBGDGJLCHV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.36
Rot. Bonds4

About N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline

N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline (PubChem CID 15735) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
PubChem CID15735
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
SMILESCNc1ccc(Cc2ccc(NC)cc2)cc1
InChIInChI=1S/C15H18N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10,16-17H,11H2,1-2H3
InChIKeyZMVMYBGDGJLCHV-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline?
The IUPAC name of N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline (CID 15735) is N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline.
What is the SMILES notation for N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline?
The canonical SMILES for N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline is CNc1ccc(Cc2ccc(NC)cc2)cc1.
What is the InChIKey of N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline?
The InChIKey is ZMVMYBGDGJLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10,16-17H,11H2,1-2H3.
What are the key properties of N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline?
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline is sourced from PubChem (CID 15735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).