N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline

C16H18N2 — CID 3739167

IUPACN-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline
SMILESCc1ccc(C=NCN(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2/c1-14-8-10-15(11-9-14)12-17-13-18(2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyITXLFLGFJFZCHJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.51
Rot. Bonds4

About N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline

N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline (PubChem CID 3739167) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline
PubChem CID3739167
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline
SMILESCc1ccc(C=NCN(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2/c1-14-8-10-15(11-9-14)12-17-13-18(2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyITXLFLGFJFZCHJ-UHFFFAOYSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline?
The IUPAC name of N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline (CID 3739167) is N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline?
The canonical SMILES for N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline is Cc1ccc(C=NCN(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline?
The InChIKey is ITXLFLGFJFZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-14-8-10-15(11-9-14)12-17-13-18(2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline?
N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline has a molecular weight of 238.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline is sourced from PubChem (CID 3739167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).