N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline

C20H25N — CID 67935384

IUPACN-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
SMILESCCCCN(C)c1ccc(C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N/c1-4-5-16-21(3)20-14-12-19(13-15-20)11-10-18-8-6-17(2)7-9-18/h6-15H,4-5,16H2,1-3H3
InChIKeyYRCXFPFMNPHGND-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.40
Rot. Bonds6

About N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline

N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline (PubChem CID 67935384) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
PubChem CID67935384
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
SMILESCCCCN(C)c1ccc(C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N/c1-4-5-16-21(3)20-14-12-19(13-15-20)11-10-18-8-6-17(2)7-9-18/h6-15H,4-5,16H2,1-3H3
InChIKeyYRCXFPFMNPHGND-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 138745224
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
CID 71341716
N,4-dimethyl-N-propylaniline
CID 14671247
N-methyl-4-[2-[1-[5-[4-[2-[4-[methyl(octadecyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]ethenyl]-N-octadecylaniline
CID 91006183
4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methyl-N-octadecylaniline
CID 177463261
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline
CID 59094293
N-butyl-4-fluoro-N-methylaniline
CID 70573878

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline?
The IUPAC name of N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline (CID 67935384) is N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline.
What is the SMILES notation for N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline?
The canonical SMILES for N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline is CCCCN(C)c1ccc(C=Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline?
The InChIKey is YRCXFPFMNPHGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-4-5-16-21(3)20-14-12-19(13-15-20)11-10-18-8-6-17(2)7-9-18/h6-15H,4-5,16H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline?
N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline has a molecular weight of 279.43 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 67935384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).