2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline

C29H29N — CID 66741492

IUPAC2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline
SMILESCc1ccc(Nc2ccc(-c3ccc(C(C)C)cc3)c(-c3ccccc3)c2)c(C)c1
InChIInChI=1S/C29H29N/c1-20(2)23-11-13-25(14-12-23)27-16-15-26(19-28(27)24-8-6-5-7-9-24)30-29-17-10-21(3)18-22(29)4/h5-20,30H,1-4H3
InChIKeyFVLAZDIVHOTNJD-UHFFFAOYSA-N
MW391.56 g/mol
LogP8.50
Rot. Bonds5

About 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline

2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline (PubChem CID 66741492) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline
PubChem CID66741492
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline
SMILESCc1ccc(Nc2ccc(-c3ccc(C(C)C)cc3)c(-c3ccccc3)c2)c(C)c1
InChIInChI=1S/C29H29N/c1-20(2)23-11-13-25(14-12-23)27-16-15-26(19-28(27)24-8-6-5-7-9-24)30-29-17-10-21(3)18-22(29)4/h5-20,30H,1-4H3
InChIKeyFVLAZDIVHOTNJD-UHFFFAOYSA-N
XLogP8.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline (CID 66741492) is 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline is Cc1ccc(Nc2ccc(-c3ccc(C(C)C)cc3)c(-c3ccccc3)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline?
The InChIKey is FVLAZDIVHOTNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N/c1-20(2)23-11-13-25(14-12-23)27-16-15-26(19-28(27)24-8-6-5-7-9-24)30-29-17-10-21(3)18-22(29)4/h5-20,30H,1-4H3.
What are the key properties of 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline?
2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline has a molecular weight of 391.56 g/mol, XLogP of 8.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-phenyl-4-(4-propan-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 66741492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).