aniline;N-benzyl-N-methylaniline

C20H22N2 — CID 163577424

IUPACaniline;N-benzyl-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccccc1.Nc1ccccc1
InChIInChI=1S/C14H15N.C6H7N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;7-6-4-2-1-3-5-6/h2-11H,12H2,1H3;1-5H,7H2
InChIKeyGERQZCWZGKLMCQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.59
Rot. Bonds3

About aniline;N-benzyl-N-methylaniline

aniline;N-benzyl-N-methylaniline (PubChem CID 163577424) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is aniline;N-benzyl-N-methylaniline.

Molecular Properties

Compound Nameaniline;N-benzyl-N-methylaniline
PubChem CID163577424
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Nameaniline;N-benzyl-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccccc1.Nc1ccccc1
InChIInChI=1S/C14H15N.C6H7N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;7-6-4-2-1-3-5-6/h2-11H,12H2,1H3;1-5H,7H2
InChIKeyGERQZCWZGKLMCQ-UHFFFAOYSA-N
XLogP4.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 60875163
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
N-benzyl-N-methyl-1-oxidopyridin-1-ium-4-amine
CID 67006779
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
N-benzyl-N-methyl-3-propan-2-ylaniline
CID 178169457
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422

Frequently Asked Questions

What is the IUPAC name of aniline;N-benzyl-N-methylaniline?
The IUPAC name of aniline;N-benzyl-N-methylaniline (CID 163577424) is aniline;N-benzyl-N-methylaniline.
What is the SMILES notation for aniline;N-benzyl-N-methylaniline?
The canonical SMILES for aniline;N-benzyl-N-methylaniline is CN(Cc1ccccc1)c1ccccc1.Nc1ccccc1.
What is the InChIKey of aniline;N-benzyl-N-methylaniline?
The InChIKey is GERQZCWZGKLMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C6H7N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;7-6-4-2-1-3-5-6/h2-11H,12H2,1H3;1-5H,7H2.
What are the key properties of aniline;N-benzyl-N-methylaniline?
aniline;N-benzyl-N-methylaniline has a molecular weight of 290.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;N-benzyl-N-methylaniline is sourced from PubChem (CID 163577424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).