4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline

C17H20N2 — CID 691368

IUPAC4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline
SMILESCc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C17H20N2/c1-13-5-8-16(11-14(13)2)18-12-15-6-9-17(10-7-15)19(3)4/h5-12H,1-4H3/b18-12+
InChIKeyHDROJFNYZIYFFQ-LDADJPATSA-N
MW252.36 g/mol
LogP4.12
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline

4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline (PubChem CID 691368) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline
PubChem CID691368
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline
SMILESCc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C17H20N2/c1-13-5-8-16(11-14(13)2)18-12-15-6-9-17(10-7-15)19(3)4/h5-12H,1-4H3/b18-12+
InChIKeyHDROJFNYZIYFFQ-LDADJPATSA-N
XLogP4.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.12
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 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline (CID 691368) is 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline is Cc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline?
The InChIKey is HDROJFNYZIYFFQ-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-5-8-16(11-14(13)2)18-12-15-6-9-17(10-7-15)19(3)4/h5-12H,1-4H3/b18-12+.
What are the key properties of 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline?
4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline has a molecular weight of 252.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 691368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).