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

C33H38N2 — CID 22316079

IUPAC4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline
SMILESCCCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C33H38N2/c1-3-4-5-22-33(2,29-14-6-25(7-15-29)23-27-10-18-31(34)19-11-27)30-16-8-26(9-17-30)24-28-12-20-32(35)21-13-28/h6-21H,3-5,22-24,34-35H2,1-2H3
InChIKeySNFQXHUEHMOSLV-UHFFFAOYSA-N
MW462.68 g/mol
LogP7.92
Rot. Bonds10

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

4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline (PubChem CID 22316079) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline
PubChem CID22316079
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC Name4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline
SMILESCCCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C33H38N2/c1-3-4-5-22-33(2,29-14-6-25(7-15-29)23-27-10-18-31(34)19-11-27)30-16-8-26(9-17-30)24-28-12-20-32(35)21-13-28/h6-21H,3-5,22-24,34-35H2,1-2H3
InChIKeySNFQXHUEHMOSLV-UHFFFAOYSA-N
XLogP7.92
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 ≤ 57.92
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-[2-[4-[(4-aminophenyl)methyl]phenyl]tetradecan-2-yl]phenyl]methyl]aniline
CID 22316084
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]decan-2-yl]phenyl]methyl]aniline
CID 22315979
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline
CID 22316027
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
CID 22315966
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-octadecylphenyl)methyl]aniline
CID 67687267
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-(1,1-dimethoxydecyl)aniline
CID 150019034
4-[5-(3-aminopropyl)dodecan-5-yl]aniline
CID 56995609
4-[(4-ethylphenyl)methyl]aniline
CID 39242922

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline?
The IUPAC name of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline (CID 22316079) is 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline is CCCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline?
The InChIKey is SNFQXHUEHMOSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-3-4-5-22-33(2,29-14-6-25(7-15-29)23-27-10-18-31(34)19-11-27)30-16-8-26(9-17-30)24-28-12-20-32(35)21-13-28/h6-21H,3-5,22-24,34-35H2,1-2H3.
What are the key properties of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline?
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline has a molecular weight of 462.68 g/mol, XLogP of 7.92, 10 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]heptan-2-yl]phenyl]methyl]aniline is sourced from PubChem (CID 22316079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).