4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline

C34H40N2 — CID 18976706

IUPAC4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline
SMILESCc1cc(Cc2ccc(N)cc2)ccc1CCCCCCc1ccc(Cc2ccc(N)cc2)cc1C
InChIInChI=1S/C34H40N2/c1-25-21-29(23-27-11-17-33(35)18-12-27)9-15-31(25)7-5-3-4-6-8-32-16-10-30(22-26(32)2)24-28-13-19-34(36)20-14-28/h9-22H,3-8,23-24,35-36H2,1-2H3
InChIKeyRLIDOEZBMAHEHP-UHFFFAOYSA-N
MW476.71 g/mol
LogP8.00
Rot. Bonds11

About 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline

4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline (PubChem CID 18976706) has the molecular formula C34H40N2 and a molecular weight of 476.71 g/mol. Its IUPAC name is 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline
PubChem CID18976706
Molecular FormulaC34H40N2
Molecular Weight476.71 g/mol
Exact Mass476.32
IUPAC Name4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline
SMILESCc1cc(Cc2ccc(N)cc2)ccc1CCCCCCc1ccc(Cc2ccc(N)cc2)cc1C
InChIInChI=1S/C34H40N2/c1-25-21-29(23-27-11-17-33(35)18-12-27)9-15-31(25)7-5-3-4-6-8-32-16-10-30(22-26(32)2)24-28-13-19-34(36)20-14-28/h9-22H,3-8,23-24,35-36H2,1-2H3
InChIKeyRLIDOEZBMAHEHP-UHFFFAOYSA-N
XLogP8.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[13-[4-[(4-aminophenyl)methyl]-2-methylphenyl]tridecyl]-3-methylphenyl]methyl]aniline
CID 18976923
4-[[4-[7-[4-[(4-aminophenyl)methyl]-3-methylphenyl]heptyl]-2-methylphenyl]methyl]aniline
CID 22920157
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-methylphenyl]methyl]phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]aniline
CID 18976911
4-[[4-[20-[4-[(4-aminophenyl)methyl]-2,6-dimethylphenyl]icosyl]-3,5-dimethylphenyl]methyl]aniline
CID 22919880
4-[[4-[12-[4-[(4-aminophenyl)methyl]-2,6-dimethylphenyl]dodecyl]-3,5-dimethylphenyl]methyl]aniline
CID 22920921
4-[[4-[19-[4-[(4-aminophenyl)methyl]-2-ethylphenyl]nonadecyl]-3-ethylphenyl]methyl]aniline
CID 22919524
4-[[4-[17-[4-[(4-amino-2-methylphenyl)methyl]phenyl]heptadecyl]phenyl]methyl]-3-methylaniline
CID 18976897
4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]hexyl]-3-hexylphenyl]methyl]aniline
CID 22920742
4-[[4-[12-[4-[(4-aminophenyl)methyl]-2-propylphenyl]dodecyl]-3-propylphenyl]methyl]aniline
CID 22920674
4-[[4-[16-[4-[(4-aminophenyl)methyl]-2-heptylphenyl]hexadecyl]-3-heptylphenyl]methyl]aniline
CID 22919252
4-[[4-[4-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]butyl]-3-hexylphenyl]methyl]aniline
CID 22919150

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline?
The IUPAC name of 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline (CID 18976706) is 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline is Cc1cc(Cc2ccc(N)cc2)ccc1CCCCCCc1ccc(Cc2ccc(N)cc2)cc1C.
What is the InChIKey of 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline?
The InChIKey is RLIDOEZBMAHEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2/c1-25-21-29(23-27-11-17-33(35)18-12-27)9-15-31(25)7-5-3-4-6-8-32-16-10-30(22-26(32)2)24-28-13-19-34(36)20-14-28/h9-22H,3-8,23-24,35-36H2,1-2H3.
What are the key properties of 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline?
4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline has a molecular weight of 476.71 g/mol, XLogP of 8.00, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-methylphenyl]hexyl]-3-methylphenyl]methyl]aniline is sourced from PubChem (CID 18976706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).