N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline

C22H29N — CID 138745224

IUPACN-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline
SMILESCCCCN(C)c1cc(/C=C/c2ccc(C)cc2)cc(CC)c1
InChIInChI=1S/C22H29N/c1-5-7-14-23(4)22-16-19(6-2)15-21(17-22)13-12-20-10-8-18(3)9-11-20/h8-13,15-17H,5-7,14H2,1-4H3/b13-12+
InChIKeyORSMPTOAYJVTNU-OUKQBFOZSA-N
MW307.48 g/mol
LogP5.96
Rot. Bonds7

About N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline

N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline (PubChem CID 138745224) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline
PubChem CID138745224
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC NameN-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline
SMILESCCCCN(C)c1cc(/C=C/c2ccc(C)cc2)cc(CC)c1
InChIInChI=1S/C22H29N/c1-5-7-14-23(4)22-16-19(6-2)15-21(17-22)13-12-20-10-8-18(3)9-11-20/h8-13,15-17H,5-7,14H2,1-4H3/b13-12+
InChIKeyORSMPTOAYJVTNU-OUKQBFOZSA-N
XLogP5.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
CID 67935384
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
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
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
CID 71341716
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine
CID 166716573
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,4-dimethyl-N-propylaniline
CID 14671247
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The IUPAC name of N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline (CID 138745224) is N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline.
What is the SMILES notation for N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The canonical SMILES for N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline is CCCCN(C)c1cc(/C=C/c2ccc(C)cc2)cc(CC)c1.
What is the InChIKey of N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The InChIKey is ORSMPTOAYJVTNU-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H29N/c1-5-7-14-23(4)22-16-19(6-2)15-21(17-22)13-12-20-10-8-18(3)9-11-20/h8-13,15-17H,5-7,14H2,1-4H3/b13-12+.
What are the key properties of N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline?
N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline has a molecular weight of 307.48 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-ethyl-N-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 138745224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).