4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline

C31H34N2O2 — CID 22141605

IUPAC4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline
SMILESCc1cc(C)c(Oc2ccc(N)cc2)c(Cc2c(C)c(C)cc(C)c2Oc2ccc(N)cc2)c1C
InChIInChI=1S/C31H34N2O2/c1-18-15-20(3)30(34-26-11-7-24(32)8-12-26)28(22(18)5)17-29-23(6)19(2)16-21(4)31(29)35-27-13-9-25(33)10-14-27/h7-16H,17,32-33H2,1-6H3
InChIKeyUWUCGSNGNKIHHS-UHFFFAOYSA-N
MW466.63 g/mol
LogP7.88
Rot. Bonds6

About 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline

4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline (PubChem CID 22141605) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline.

Molecular Properties

Compound Name4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline
PubChem CID22141605
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline
SMILESCc1cc(C)c(Oc2ccc(N)cc2)c(Cc2c(C)c(C)cc(C)c2Oc2ccc(N)cc2)c1C
InChIInChI=1S/C31H34N2O2/c1-18-15-20(3)30(34-26-11-7-24(32)8-12-26)28(22(18)5)17-29-23(6)19(2)16-21(4)31(29)35-27-13-9-25(33)10-14-27/h7-16H,17,32-33H2,1-6H3
InChIKeyUWUCGSNGNKIHHS-UHFFFAOYSA-N
XLogP7.88
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline?
The IUPAC name of 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline (CID 22141605) is 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline.
What is the SMILES notation for 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline?
The canonical SMILES for 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline is Cc1cc(C)c(Oc2ccc(N)cc2)c(Cc2c(C)c(C)cc(C)c2Oc2ccc(N)cc2)c1C.
What is the InChIKey of 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline?
The InChIKey is UWUCGSNGNKIHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-18-15-20(3)30(34-26-11-7-24(32)8-12-26)28(22(18)5)17-29-23(6)19(2)16-21(4)31(29)35-27-13-9-25(33)10-14-27/h7-16H,17,32-33H2,1-6H3.
What are the key properties of 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline?
4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline has a molecular weight of 466.63 g/mol, XLogP of 7.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline is sourced from PubChem (CID 22141605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).