4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline

C36H42N2 — CID 159293850

IUPAC4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline
SMILESCCC1CCC(c2ccc(CCc3ccc(N)cc3)cc2)(c2ccc(CCc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C36H42N2/c1-2-27-23-25-36(26-24-27,32-15-7-28(8-16-32)3-5-30-11-19-34(37)20-12-30)33-17-9-29(10-18-33)4-6-31-13-21-35(38)22-14-31/h7-22,27H,2-6,23-26,37-38H2,1H3
InChIKeyLALULJHVOWGTBP-UHFFFAOYSA-N
MW502.75 g/mol
LogP8.31
Rot. Bonds9

About 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline

4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline (PubChem CID 159293850) has the molecular formula C36H42N2 and a molecular weight of 502.75 g/mol. Its IUPAC name is 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline
PubChem CID159293850
Molecular FormulaC36H42N2
Molecular Weight502.75 g/mol
Exact Mass502.33
IUPAC Name4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline
SMILESCCC1CCC(c2ccc(CCc3ccc(N)cc3)cc2)(c2ccc(CCc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C36H42N2/c1-2-27-23-25-36(26-24-27,32-15-7-28(8-16-32)3-5-30-11-19-34(37)20-12-30)33-17-9-29(10-18-33)4-6-31-13-21-35(38)22-14-31/h7-22,27H,2-6,23-26,37-38H2,1H3
InChIKeyLALULJHVOWGTBP-UHFFFAOYSA-N
XLogP8.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.75
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-[(4-hexylphenyl)methyl]cyclohexyl]phenyl]ethyl]aniline
CID 159333075
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-butylcyclohexyl]phenyl]methyl]aniline
CID 22316038
4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline
CID 22315929
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-octylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316086
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316145
4-[1-(4-aminophenyl)-4-[(4-hexylcyclohexyl)methyl]cyclohexyl]aniline
CID 22316010
4-[1-(4-aminophenyl)-4-(2-propylhexyl)cyclohexyl]aniline
CID 172731199
4-(4-amino-1-phenylcyclohexyl)aniline
CID 46846207
4-[2-[4-[1-[4-[3-(4-aminophenyl)-1H-indol-2-yl]phenyl]-4-[(4-pentylphenyl)methyl]cyclohexyl]phenyl]-1H-indol-3-yl]aniline
CID 150389764
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]-4-nonylcyclohexyl]phenyl]pentyl]aniline
CID 22920819
4-[1-[4-[1-[4-[1-(4-aminophenyl)hexyl]phenyl]-4-decylcyclohexyl]phenyl]hexyl]aniline
CID 22920527
4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline
CID 18976734

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline?
The IUPAC name of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline (CID 159293850) is 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline.
What is the SMILES notation for 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline?
The canonical SMILES for 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline is CCC1CCC(c2ccc(CCc3ccc(N)cc3)cc2)(c2ccc(CCc3ccc(N)cc3)cc2)CC1.
What is the InChIKey of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline?
The InChIKey is LALULJHVOWGTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N2/c1-2-27-23-25-36(26-24-27,32-15-7-28(8-16-32)3-5-30-11-19-34(37)20-12-30)33-17-9-29(10-18-33)4-6-31-13-21-35(38)22-14-31/h7-22,27H,2-6,23-26,37-38H2,1H3.
What are the key properties of 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline?
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline has a molecular weight of 502.75 g/mol, XLogP of 8.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-ethylcyclohexyl]phenyl]ethyl]aniline is sourced from PubChem (CID 159293850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).