4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline

C21H30N2O2 — CID 175551301

IUPAC4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline
SMILESCCc1cc(OCOc2cc(CC)c(N)c(CC)c2)cc(CC)c1N
InChIInChI=1S/C21H30N2O2/c1-5-14-9-18(10-15(6-2)20(14)22)24-13-25-19-11-16(7-3)21(23)17(8-4)12-19/h9-12H,5-8,13,22-23H2,1-4H3
InChIKeyNPUPDIBTGCJIJS-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.52
Rot. Bonds8

About 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline

4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline (PubChem CID 175551301) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline.

Molecular Properties

Compound Name4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline
PubChem CID175551301
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline
SMILESCCc1cc(OCOc2cc(CC)c(N)c(CC)c2)cc(CC)c1N
InChIInChI=1S/C21H30N2O2/c1-5-14-9-18(10-15(6-2)20(14)22)24-13-25-19-11-16(7-3)21(23)17(8-4)12-19/h9-12H,5-8,13,22-23H2,1-4H3
InChIKeyNPUPDIBTGCJIJS-UHFFFAOYSA-N
XLogP4.52
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline?
The IUPAC name of 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline (CID 175551301) is 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline.
What is the SMILES notation for 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline?
The canonical SMILES for 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline is CCc1cc(OCOc2cc(CC)c(N)c(CC)c2)cc(CC)c1N.
What is the InChIKey of 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline?
The InChIKey is NPUPDIBTGCJIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-5-14-9-18(10-15(6-2)20(14)22)24-13-25-19-11-16(7-3)21(23)17(8-4)12-19/h9-12H,5-8,13,22-23H2,1-4H3.
What are the key properties of 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline?
4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline has a molecular weight of 342.48 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline is sourced from PubChem (CID 175551301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).