N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline

C18H22N2 — CID 3468882

IUPACN,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
SMILESCc1cc(C)c(/N=C/c2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C18H22N2/c1-13-10-14(2)18(15(3)11-13)19-12-16-6-8-17(9-7-16)20(4)5/h6-12H,1-5H3/b19-12+
InChIKeyRTDULXKNAGWBKL-XDHOZWIPSA-N
MW266.39 g/mol
LogP4.43
Rot. Bonds3

About N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline

N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline (PubChem CID 3468882) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
PubChem CID3468882
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
SMILESCc1cc(C)c(/N=C/c2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C18H22N2/c1-13-10-14(2)18(15(3)11-13)19-12-16-6-8-17(9-7-16)20(4)5/h6-12H,1-5H3/b19-12+
InChIKeyRTDULXKNAGWBKL-XDHOZWIPSA-N
XLogP4.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.43
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-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline (CID 3468882) is N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline is Cc1cc(C)c(/N=C/c2ccc(N(C)C)cc2)c(C)c1.
What is the InChIKey of N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
The InChIKey is RTDULXKNAGWBKL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-10-14(2)18(15(3)11-13)19-12-16-6-8-17(9-7-16)20(4)5/h6-12H,1-5H3/b19-12+.
What are the key properties of N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
N,N-dimethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.43, 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-[(2,4,6-trimethylphenyl)iminomethyl]aniline is sourced from PubChem (CID 3468882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).