N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline

C32H36N2 — CID 20761159

IUPACN,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
SMILESCCN(CC)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c(C)c2)cc1C
InChIInChI=1S/C32H36N2/c1-7-33(8-2)31-19-13-27(21-25(31)5)28-14-20-32(26(6)22-28)34(29-15-9-23(3)10-16-29)30-17-11-24(4)12-18-30/h9-22H,7-8H2,1-6H3
InChIKeyHUMHNGIXAPYZQT-UHFFFAOYSA-N
MW448.65 g/mol
LogP8.90
Rot. Bonds7

About N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline

N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline (PubChem CID 20761159) has the molecular formula C32H36N2 and a molecular weight of 448.65 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
PubChem CID20761159
Molecular FormulaC32H36N2
Molecular Weight448.65 g/mol
Exact Mass448.29
IUPAC NameN,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline
SMILESCCN(CC)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c(C)c2)cc1C
InChIInChI=1S/C32H36N2/c1-7-33(8-2)31-19-13-27(21-25(31)5)28-14-20-32(26(6)22-28)34(29-15-9-23(3)10-16-29)30-17-11-24(4)12-18-30/h9-22H,7-8H2,1-6H3
InChIKeyHUMHNGIXAPYZQT-UHFFFAOYSA-N
XLogP8.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline?
The IUPAC name of N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline (CID 20761159) is N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline.
What is the SMILES notation for N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline?
The canonical SMILES for N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline is CCN(CC)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c(C)c2)cc1C.
What is the InChIKey of N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline?
The InChIKey is HUMHNGIXAPYZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2/c1-7-33(8-2)31-19-13-27(21-25(31)5)28-14-20-32(26(6)22-28)34(29-15-9-23(3)10-16-29)30-17-11-24(4)12-18-30/h9-22H,7-8H2,1-6H3.
What are the key properties of N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline?
N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline has a molecular weight of 448.65 g/mol, XLogP of 8.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]aniline is sourced from PubChem (CID 20761159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).