N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline

C16H18N2 — CID 915196

IUPACN,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline
SMILESCc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2/c1-13-4-8-15(9-5-13)17-12-14-6-10-16(11-7-14)18(2)3/h4-12H,1-3H3/b17-12+
InChIKeyFMUYBNRWFQLFLY-SFQUDFHCSA-N
MW238.33 g/mol
LogP3.81
Rot. Bonds3

About N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline

N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline (PubChem CID 915196) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline
PubChem CID915196
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline
SMILESCc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2/c1-13-4-8-15(9-5-13)17-12-14-6-10-16(11-7-14)18(2)3/h4-12H,1-3H3/b17-12+
InChIKeyFMUYBNRWFQLFLY-SFQUDFHCSA-N
XLogP3.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.81
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,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline (CID 915196) is N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline is Cc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline?
The InChIKey is FMUYBNRWFQLFLY-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2/c1-13-4-8-15(9-5-13)17-12-14-6-10-16(11-7-14)18(2)3/h4-12H,1-3H3/b17-12+.
What are the key properties of N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline?
N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline has a molecular weight of 238.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylphenyl)iminomethyl]aniline is sourced from PubChem (CID 915196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).