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

C31H34N2 — CID 22315966

IUPAC4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
SMILESCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C31H34N2/c1-3-20-31(2,27-12-4-23(5-13-27)21-25-8-16-29(32)17-9-25)28-14-6-24(7-15-28)22-26-10-18-30(33)19-11-26/h4-19H,3,20-22,32-33H2,1-2H3
InChIKeyZDHNKGCGRQZFNX-UHFFFAOYSA-N
MW434.63 g/mol
LogP7.14
Rot. Bonds8

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

4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline (PubChem CID 22315966) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
PubChem CID22315966
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC Name4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
SMILESCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C31H34N2/c1-3-20-31(2,27-12-4-23(5-13-27)21-25-8-16-29(32)17-9-25)28-14-6-24(7-15-28)22-26-10-18-30(33)19-11-26/h4-19H,3,20-22,32-33H2,1-2H3
InChIKeyZDHNKGCGRQZFNX-UHFFFAOYSA-N
XLogP7.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 57.14
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-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline
CID 22316027
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline
CID 22316079
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]decan-2-yl]phenyl]methyl]aniline
CID 22315979
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]tetradecan-2-yl]phenyl]methyl]aniline
CID 22316084
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline?
The IUPAC name of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline (CID 22315966) is 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline is CCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline?
The InChIKey is ZDHNKGCGRQZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-3-20-31(2,27-12-4-23(5-13-27)21-25-8-16-29(32)17-9-25)28-14-6-24(7-15-28)22-26-10-18-30(33)19-11-26/h4-19H,3,20-22,32-33H2,1-2H3.
What are the key properties of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline?
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline has a molecular weight of 434.63 g/mol, XLogP of 7.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline is sourced from PubChem (CID 22315966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).