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

C32H36N2 — CID 22316027

IUPAC4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline
SMILESCCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C32H36N2/c1-3-4-21-32(2,28-13-5-24(6-14-28)22-26-9-17-30(33)18-10-26)29-15-7-25(8-16-29)23-27-11-19-31(34)20-12-27/h5-20H,3-4,21-23,33-34H2,1-2H3
InChIKeyNPNDVPDUMKSHCO-UHFFFAOYSA-N
MW448.65 g/mol
LogP7.53
Rot. Bonds9

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

4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline (PubChem CID 22316027) has the molecular formula C32H36N2 and a molecular weight of 448.65 g/mol. Its IUPAC name is 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline
PubChem CID22316027
Molecular FormulaC32H36N2
Molecular Weight448.65 g/mol
Exact Mass448.29
IUPAC Name4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline
SMILESCCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C32H36N2/c1-3-4-21-32(2,28-13-5-24(6-14-28)22-26-9-17-30(33)18-10-26)29-15-7-25(8-16-29)23-27-11-19-31(34)20-12-27/h5-20H,3-4,21-23,33-34H2,1-2H3
InChIKeyNPNDVPDUMKSHCO-UHFFFAOYSA-N
XLogP7.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 57.53
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]heptan-2-yl]phenyl]methyl]aniline
CID 22316079
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]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
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-[5-(3-aminopropyl)dodecan-5-yl]aniline
CID 56995609

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline?
The IUPAC name of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline (CID 22316027) is 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline is CCCCC(C)(c1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline?
The InChIKey is NPNDVPDUMKSHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2/c1-3-4-21-32(2,28-13-5-24(6-14-28)22-26-9-17-30(33)18-10-26)29-15-7-25(8-16-29)23-27-11-19-31(34)20-12-27/h5-20H,3-4,21-23,33-34H2,1-2H3.
What are the key properties of 4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline?
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline has a molecular weight of 448.65 g/mol, XLogP of 7.53, 9 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]hexan-2-yl]phenyl]methyl]aniline is sourced from PubChem (CID 22316027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).