N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline

C21H29N — CID 138600835

IUPACN,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline
SMILESCCCCCc1cc(C)c(N(C)c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C21H29N/c1-6-7-8-9-19-14-17(3)21(18(4)15-19)22(5)20-12-10-16(2)11-13-20/h10-15H,6-9H2,1-5H3
InChIKeyGCYIQIYVWMDBSA-UHFFFAOYSA-N
MW295.47 g/mol
LogP6.11
Rot. Bonds6

About N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline

N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline (PubChem CID 138600835) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline.

Molecular Properties

Compound NameN,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline
PubChem CID138600835
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC NameN,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline
SMILESCCCCCc1cc(C)c(N(C)c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C21H29N/c1-6-7-8-9-19-14-17(3)21(18(4)15-19)22(5)20-12-10-16(2)11-13-20/h10-15H,6-9H2,1-5H3
InChIKeyGCYIQIYVWMDBSA-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.11
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

4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 90265201
CID 89038222
CID 89038222
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 163613245
N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline
CID 101458164
1-methyl-4-octylbenzene
CID 11052746
N,N-bis[3-(4-hexylphenyl)-4-methyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethylaniline
CID 144813748
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
2,6-dimethyl-4-pentylphenol
CID 22625507
N,2,3,4,5,6-hexamethyl-N-(4-methylphenyl)aniline
CID 134561307
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline?
The IUPAC name of N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline (CID 138600835) is N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline.
What is the SMILES notation for N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline?
The canonical SMILES for N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline is CCCCCc1cc(C)c(N(C)c2ccc(C)cc2)c(C)c1.
What is the InChIKey of N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline?
The InChIKey is GCYIQIYVWMDBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-6-7-8-9-19-14-17(3)21(18(4)15-19)22(5)20-12-10-16(2)11-13-20/h10-15H,6-9H2,1-5H3.
What are the key properties of N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline?
N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline has a molecular weight of 295.47 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline is sourced from PubChem (CID 138600835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).