N-benzyl-N-methyl-4-pyridin-4-ylaniline

C19H18N2 — CID 23466191

IUPACN-benzyl-N-methyl-4-pyridin-4-ylaniline
SMILESCN(Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H18N2/c1-21(15-16-5-3-2-4-6-16)19-9-7-17(8-10-19)18-11-13-20-14-12-18/h2-14H,15H2,1H3
InChIKeySCLPLVJBIZVDRY-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.39
Rot. Bonds4

About N-benzyl-N-methyl-4-pyridin-4-ylaniline

N-benzyl-N-methyl-4-pyridin-4-ylaniline (PubChem CID 23466191) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-pyridin-4-ylaniline.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-pyridin-4-ylaniline
PubChem CID23466191
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-benzyl-N-methyl-4-pyridin-4-ylaniline
SMILESCN(Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H18N2/c1-21(15-16-5-3-2-4-6-16)19-9-7-17(8-10-19)18-11-13-20-14-12-18/h2-14H,15H2,1H3
InChIKeySCLPLVJBIZVDRY-UHFFFAOYSA-N
XLogP4.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-4-phenylaniline
CID 23459365
4-(4-benzylphenyl)pyridine
CID 174553937
aniline;N-benzyl-N-methylaniline
CID 163577424
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
N,N-dibenzylpyridin-4-amine
CID 15006775
N-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)aniline;octane
CID 145105907
4-[methyl(pyridin-4-ylmethyl)amino]benzenecarbothioamide
CID 43564551
N-benzyl-N-methyl-1-oxidopyridin-1-ium-4-amine
CID 67006779
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
CID 95464250
3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline
CID 144815999
N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline
CID 166206214

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-pyridin-4-ylaniline?
The IUPAC name of N-benzyl-N-methyl-4-pyridin-4-ylaniline (CID 23466191) is N-benzyl-N-methyl-4-pyridin-4-ylaniline.
What is the SMILES notation for N-benzyl-N-methyl-4-pyridin-4-ylaniline?
The canonical SMILES for N-benzyl-N-methyl-4-pyridin-4-ylaniline is CN(Cc1ccccc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-pyridin-4-ylaniline?
The InChIKey is SCLPLVJBIZVDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-21(15-16-5-3-2-4-6-16)19-9-7-17(8-10-19)18-11-13-20-14-12-18/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-pyridin-4-ylaniline?
N-benzyl-N-methyl-4-pyridin-4-ylaniline has a molecular weight of 274.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-pyridin-4-ylaniline is sourced from PubChem (CID 23466191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).