N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline

C21H20BrN — CID 118968850

IUPACN-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline
SMILESCCc1cccc(C)c1N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H20BrN/c1-3-17-9-7-8-16(2)21(17)23(19-10-5-4-6-11-19)20-14-12-18(22)13-15-20/h4-15H,3H2,1-2H3
InChIKeyGYKGZDHCJVIVKA-UHFFFAOYSA-N
MW366.30 g/mol
LogP6.79
Rot. Bonds4

About N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline

N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline (PubChem CID 118968850) has the molecular formula C21H20BrN and a molecular weight of 366.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline
PubChem CID118968850
Molecular FormulaC21H20BrN
Molecular Weight366.30 g/mol
Exact Mass365.08
IUPAC NameN-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline
SMILESCCc1cccc(C)c1N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H20BrN/c1-3-17-9-7-8-16(2)21(17)23(19-10-5-4-6-11-19)20-14-12-18(22)13-15-20/h4-15H,3H2,1-2H3
InChIKeyGYKGZDHCJVIVKA-UHFFFAOYSA-N
XLogP6.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline 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

2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
CID 22900130
N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline
CID 118968846
4-[2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]benzonitrile
CID 70163477
N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 58177556
N-[4-[2-[4-(diethoxyphosphorylmethyl)phenyl]ethenyl]phenyl]-2-ethyl-6-methyl-N-phenylaniline
CID 89327832
N-[4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]-N-(2-ethyl-6-methylphenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
CID 155305754
2-ethyl-N,6-dimethyl-N-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]aniline
CID 126602598
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,6-dimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-phenylaniline
CID 11354736
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine
CID 162139755
2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 89417438

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline?
The IUPAC name of N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline (CID 118968850) is N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline.
What is the SMILES notation for N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline?
The canonical SMILES for N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline is CCc1cccc(C)c1N(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline?
The InChIKey is GYKGZDHCJVIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN/c1-3-17-9-7-8-16(2)21(17)23(19-10-5-4-6-11-19)20-14-12-18(22)13-15-20/h4-15H,3H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline?
N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline has a molecular weight of 366.30 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline is sourced from PubChem (CID 118968850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).