4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline

C37H46N2 — CID 22919933

IUPAC4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
SMILESCCCCC(c1ccc(C(CCC)c2ccc(N)cc2)cc1)c1ccc(C(CCC)c2ccc(N)cc2)cc1
InChIInChI=1S/C37H46N2/c1-4-7-10-37(29-15-11-27(12-16-29)35(8-5-2)31-19-23-33(38)24-20-31)30-17-13-28(14-18-30)36(9-6-3)32-21-25-34(39)26-22-32/h11-26,35-37H,4-10,38-39H2,1-3H3
InChIKeyANSHBZDCBXJRNS-UHFFFAOYSA-N
MW518.79 g/mol
LogP10.04
Rot. Bonds13

About 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline

4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline (PubChem CID 22919933) has the molecular formula C37H46N2 and a molecular weight of 518.79 g/mol. Its IUPAC name is 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline.

Molecular Properties

Compound Name4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
PubChem CID22919933
Molecular FormulaC37H46N2
Molecular Weight518.79 g/mol
Exact Mass518.37
IUPAC Name4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
SMILESCCCCC(c1ccc(C(CCC)c2ccc(N)cc2)cc1)c1ccc(C(CCC)c2ccc(N)cc2)cc1
InChIInChI=1S/C37H46N2/c1-4-7-10-37(29-15-11-27(12-16-29)35(8-5-2)31-19-23-33(38)24-20-31)30-17-13-28(14-18-30)36(9-6-3)32-21-25-34(39)26-22-32/h11-26,35-37H,4-10,38-39H2,1-3H3
InChIKeyANSHBZDCBXJRNS-UHFFFAOYSA-N
XLogP10.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]propyl]phenyl]pentyl]aniline
CID 22919318
4-[1-[4-[11-[4-[1-(4-aminophenyl)pentyl]phenyl]undecyl]phenyl]pentyl]aniline
CID 22919313
4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
CID 22919612
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
CID 139903306
4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline
CID 22919336
4-[1-[4-[1-[4-[1-(4-aminophenyl)undecyl]phenyl]ethyl]phenyl]undecyl]aniline
CID 22921087
4-[1-(4-ethylphenyl)heptyl]aniline
CID 67687231
4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline
CID 18976753
4-[1-[4-[18-[4-[1-(4-aminophenyl)hexyl]phenyl]octadecyl]phenyl]hexyl]aniline
CID 22919132
4-[1-[4-[12-[4-[1-(4-aminophenyl)decyl]phenyl]dodecyl]phenyl]decyl]aniline
CID 22921197

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline?
The IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline (CID 22919933) is 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline.
What is the SMILES notation for 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline?
The canonical SMILES for 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline is CCCCC(c1ccc(C(CCC)c2ccc(N)cc2)cc1)c1ccc(C(CCC)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline?
The InChIKey is ANSHBZDCBXJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N2/c1-4-7-10-37(29-15-11-27(12-16-29)35(8-5-2)31-19-23-33(38)24-20-31)30-17-13-28(14-18-30)36(9-6-3)32-21-25-34(39)26-22-32/h11-26,35-37H,4-10,38-39H2,1-3H3.
What are the key properties of 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline?
4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline has a molecular weight of 518.79 g/mol, XLogP of 10.04, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline is sourced from PubChem (CID 22919933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).