N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline

C28H35N — CID 101458164

IUPACN-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline
SMILESCCCCCCc1ccc(N(c2ccc(C)cc2C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C28H35N/c1-6-7-8-9-10-25-13-15-26(16-14-25)29(27-17-11-21(2)19-23(27)4)28-18-12-22(3)20-24(28)5/h11-20H,6-10H2,1-5H3
InChIKeyIIZXTYBEHGUHHX-UHFFFAOYSA-N
MW385.60 g/mol
LogP8.51
Rot. Bonds8

About N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline

N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline (PubChem CID 101458164) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline
PubChem CID101458164
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC NameN-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline
SMILESCCCCCCc1ccc(N(c2ccc(C)cc2C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C28H35N/c1-6-7-8-9-10-25-13-15-26(16-14-25)29(27-17-11-21(2)19-23(27)4)28-18-12-22(3)20-24(28)5/h11-20H,6-10H2,1-5H3
InChIKeyIIZXTYBEHGUHHX-UHFFFAOYSA-N
XLogP8.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[4-[4-(4-nonylphenyl)phenyl]phenyl]phenyl]chrysene-6,12-diamine
CID 58421132
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[4-(4-heptylphenyl)phenyl]phenyl]chrysene-6,12-diamine
CID 88552464
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-methyl-4-octylbenzene
CID 11052746
2,4-dimethyl-N-[2-[4-[2-[4-(N-(2-methyl-4-pentylphenyl)anilino)phenyl]ethyl]phenyl]butan-2-yl]aniline
CID 70831411
4-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-4-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-1,4-diamine
CID 140553757
N,N-bis[3-(4-hexylphenyl)-4-methyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethylaniline
CID 144813748
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline
CID 138600835
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline?
The IUPAC name of N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline (CID 101458164) is N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline is CCCCCCc1ccc(N(c2ccc(C)cc2C)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline?
The InChIKey is IIZXTYBEHGUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-6-7-8-9-10-25-13-15-26(16-14-25)29(27-17-11-21(2)19-23(27)4)28-18-12-22(3)20-24(28)5/h11-20H,6-10H2,1-5H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline?
N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline has a molecular weight of 385.60 g/mol, XLogP of 8.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline is sourced from PubChem (CID 101458164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).