4-methyl-N-(4-octylphenyl)aniline

C21H29N — CID 20625735

IUPAC4-methyl-N-(4-octylphenyl)aniline
SMILESCCCCCCCCc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H29N/c1-3-4-5-6-7-8-9-19-12-16-21(17-13-19)22-20-14-10-18(2)11-15-20/h10-17,22H,3-9H2,1-2H3
InChIKeyRYOACRWMHPIHRU-UHFFFAOYSA-N
MW295.47 g/mol
LogP6.64
Rot. Bonds9

About 4-methyl-N-(4-octylphenyl)aniline

4-methyl-N-(4-octylphenyl)aniline (PubChem CID 20625735) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-methyl-N-(4-octylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(4-octylphenyl)aniline
PubChem CID20625735
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name4-methyl-N-(4-octylphenyl)aniline
SMILESCCCCCCCCc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H29N/c1-3-4-5-6-7-8-9-19-12-16-21(17-13-19)22-20-14-10-18(2)11-15-20/h10-17,22H,3-9H2,1-2H3
InChIKeyRYOACRWMHPIHRU-UHFFFAOYSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
1-methyl-4-octylbenzene
CID 11052746
3,5-didecyl-N-(4-decylphenyl)aniline
CID 102438287
4-(4-hexylanilino)phenol
CID 101298409
4-(4-decylanilino)phenol
CID 101298429
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-octylphenyl)aniline?
The IUPAC name of 4-methyl-N-(4-octylphenyl)aniline (CID 20625735) is 4-methyl-N-(4-octylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-(4-octylphenyl)aniline?
The canonical SMILES for 4-methyl-N-(4-octylphenyl)aniline is CCCCCCCCc1ccc(Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-octylphenyl)aniline?
The InChIKey is RYOACRWMHPIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-3-4-5-6-7-8-9-19-12-16-21(17-13-19)22-20-14-10-18(2)11-15-20/h10-17,22H,3-9H2,1-2H3.
What are the key properties of 4-methyl-N-(4-octylphenyl)aniline?
4-methyl-N-(4-octylphenyl)aniline has a molecular weight of 295.47 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-octylphenyl)aniline is sourced from PubChem (CID 20625735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).