3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline

C26H31N — CID 163613245

IUPAC3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
SMILESCCCCCCc1ccc(-c2cccc(N(C)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C26H31N/c1-4-5-6-7-9-22-14-16-23(17-15-22)24-10-8-11-26(20-24)27(3)25-18-12-21(2)13-19-25/h8,10-20H,4-7,9H2,1-3H3
InChIKeyHHTKTGRPXTWXSF-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.55
Rot. Bonds8

About 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline

3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline (PubChem CID 163613245) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
PubChem CID163613245
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Name3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
SMILESCCCCCCc1ccc(-c2cccc(N(C)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C26H31N/c1-4-5-6-7-9-22-14-16-23(17-15-22)24-10-8-11-26(20-24)27(3)25-18-12-21(2)13-19-25/h8,10-20H,4-7,9H2,1-3H3
InChIKeyHHTKTGRPXTWXSF-UHFFFAOYSA-N
XLogP7.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.55
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

3-(4-dodecylphenyl)-N,N-dimethylaniline
CID 57074168
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
1-methyl-4-octylbenzene
CID 11052746
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-pentadecyl-4-phenylbenzene
CID 57166115
N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline
CID 138600835

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline (CID 163613245) is 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline is CCCCCCc1ccc(-c2cccc(N(C)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
The InChIKey is HHTKTGRPXTWXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-4-5-6-7-9-22-14-16-23(17-15-22)24-10-8-11-26(20-24)27(3)25-18-12-21(2)13-19-25/h8,10-20H,4-7,9H2,1-3H3.
What are the key properties of 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline?
3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline has a molecular weight of 357.54 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 163613245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).