4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline

C33H38N2 — CID 139903287

IUPAC4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline
SMILESCCC(c1ccc(CCc2ccc(N)cc2)cc1)C(C)c1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C33H38N2/c1-3-33(30-18-10-26(11-19-30)5-7-28-14-22-32(35)23-15-28)24(2)29-16-8-25(9-17-29)4-6-27-12-20-31(34)21-13-27/h8-24,33H,3-7,34-35H2,1-2H3
InChIKeyYKZOMHTWEYSPAO-UHFFFAOYSA-N
MW462.68 g/mol
LogP7.72
Rot. Bonds10

About 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline

4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline (PubChem CID 139903287) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline
PubChem CID139903287
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC Name4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline
SMILESCCC(c1ccc(CCc2ccc(N)cc2)cc1)C(C)c1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C33H38N2/c1-3-33(30-18-10-26(11-19-30)5-7-28-14-22-32(35)23-15-28)24(2)29-16-8-25(9-17-29)4-6-27-12-20-31(34)21-13-27/h8-24,33H,3-7,34-35H2,1-2H3
InChIKeyYKZOMHTWEYSPAO-UHFFFAOYSA-N
XLogP7.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 57.72
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-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
CID 139903306
4-[1-[4-[14-[4-[1-(4-aminophenyl)ethyl]phenyl]tetradecyl]phenyl]ethyl]aniline
CID 22920015
4-[1-[4-[18-[4-[1-(4-aminophenyl)ethyl]phenyl]octadecyl]phenyl]ethyl]aniline
CID 22919409
4-[3-amino-3-(4-aminophenyl)propyl]aniline
CID 22432
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline
CID 22919336
4-[2-(2-methylbutylsulfanyl)ethyl]aniline
CID 107748838
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
4-[3-(2-methylbutylsulfanyl)propyl]aniline
CID 107754753
4-[1-[4-[11-[4-[1-(4-aminophenyl)pentyl]phenyl]undecyl]phenyl]pentyl]aniline
CID 22919313
4-[4-[3-[4-(4-aminophenoxy)phenyl]butyl]phenoxy]aniline
CID 18363730

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline?
The IUPAC name of 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline (CID 139903287) is 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline.
What is the SMILES notation for 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline?
The canonical SMILES for 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline is CCC(c1ccc(CCc2ccc(N)cc2)cc1)C(C)c1ccc(CCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline?
The InChIKey is YKZOMHTWEYSPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-3-33(30-18-10-26(11-19-30)5-7-28-14-22-32(35)23-15-28)24(2)29-16-8-25(9-17-29)4-6-27-12-20-31(34)21-13-27/h8-24,33H,3-7,34-35H2,1-2H3.
What are the key properties of 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline?
4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline has a molecular weight of 462.68 g/mol, XLogP of 7.72, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline is sourced from PubChem (CID 139903287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).