3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline

C28H33N — CID 89294487

IUPAC3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline
SMILESC=Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)(C)CC)cc2)c1
InChIInChI=1S/C28H33N/c1-7-22-10-9-11-27(20-22)29(25-16-12-23(13-17-25)21(3)4)26-18-14-24(15-19-26)28(5,6)8-2/h7,9-21H,1,8H2,2-6H3
InChIKeyIPAOAHFVEVYGHZ-UHFFFAOYSA-N
MW383.58 g/mol
LogP8.61
Rot. Bonds7

About 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline

3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline (PubChem CID 89294487) has the molecular formula C28H33N and a molecular weight of 383.58 g/mol. Its IUPAC name is 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline
PubChem CID89294487
Molecular FormulaC28H33N
Molecular Weight383.58 g/mol
Exact Mass383.26
IUPAC Name3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline
SMILESC=Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)(C)CC)cc2)c1
InChIInChI=1S/C28H33N/c1-7-22-10-9-11-27(20-22)29(25-16-12-23(13-17-25)21(3)4)26-18-14-24(15-19-26)28(5,6)8-2/h7,9-21H,1,8H2,2-6H3
InChIKeyIPAOAHFVEVYGHZ-UHFFFAOYSA-N
XLogP8.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(3-ethenylphenyl)-1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]benzene-1,4-diamine;ethane;propane
CID 143729864
4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71095331
N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89294997
3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89344348
ethane;3-ethenyl-N,N-diphenylaniline
CID 123345777
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
CID 142315173
1-ethenyl-3-[3-(2-methylbutan-2-yl)phenyl]-5-propan-2-ylbenzene
CID 144776120
2-N,2-N,11-N-tris(4-tert-butylphenyl)-11-N-(4-propan-2-ylphenyl)benzo[c]phenanthrene-2,11-diamine
CID 91347233
1-N,3-N-bis[4-(dimethylamino)phenyl]-1-N,3-N-bis[3-(2-methylbutan-2-yl)phenyl]benzene-1,3-diamine
CID 144692080

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline (CID 89294487) is 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline is C=Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)(C)CC)cc2)c1.
What is the InChIKey of 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is IPAOAHFVEVYGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N/c1-7-22-10-9-11-27(20-22)29(25-16-12-23(13-17-25)21(3)4)26-18-14-24(15-19-26)28(5,6)8-2/h7,9-21H,1,8H2,2-6H3.
What are the key properties of 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline?
3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 383.58 g/mol, XLogP of 8.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-[4-(2-methylbutan-2-yl)phenyl]-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 89294487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).