4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline

C25H25N — CID 59728644

IUPAC4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline
SMILESC=CC(=C)Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25N/c1-5-19(2)18-22-10-16-25(17-11-22)26(23-12-6-20(3)7-13-23)24-14-8-21(4)9-15-24/h5-17H,1-2,18H2,3-4H3
InChIKeySVGNPBGOUNADAI-UHFFFAOYSA-N
MW339.48 g/mol
LogP7.06
Rot. Bonds6

About 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline (PubChem CID 59728644) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline
PubChem CID59728644
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline
SMILESC=CC(=C)Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H25N/c1-5-19(2)18-22-10-16-25(17-11-22)26(23-12-6-20(3)7-13-23)24-14-8-21(4)9-15-24/h5-17H,1-2,18H2,3-4H3
InChIKeySVGNPBGOUNADAI-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-(2-methylidenebut-3-enyl)benzene;1-methyl-4-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145217102
1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
CID 143774858
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
[4-(4-methyl-N-[4-[[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]methoxymethyl]phenyl]anilino)phenyl] prop-2-enoate
CID 22089867
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 88855641
1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane
CID 142879845
1-ethynyl-4-[(3E)-2-methylidene-5-[(4-methylphenyl)methyl]hexa-3,5-dienyl]benzene
CID 159671138
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655
2-[[4-(dimethylamino)phenyl]methyl]prop-2-enal
CID 118953189

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline (CID 59728644) is 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline is C=CC(=C)Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is SVGNPBGOUNADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-5-19(2)18-22-10-16-25(17-11-22)26(23-12-6-20(3)7-13-23)24-14-8-21(4)9-15-24/h5-17H,1-2,18H2,3-4H3.
What are the key properties of 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline?
4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 339.48 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59728644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).