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

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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).