4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane

C22H30N4O4 — CID 67942387

IUPAC4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
SMILESN.N.Nc1ccc(OCCOc2ccc(OCCOc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C22H24N2O4.2H3N/c23-17-1-5-19(6-2-17)25-13-15-27-21-9-11-22(12-10-21)28-16-14-26-20-7-3-18(24)4-8-20;;/h1-12H,13-16,23-24H2;2*1H3
InChIKeyVRPLJTYHLZSXOJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.09
Rot. Bonds10

About 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane

4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane (PubChem CID 67942387) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane.

Molecular Properties

Compound Name4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
PubChem CID67942387
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
SMILESN.N.Nc1ccc(OCCOc2ccc(OCCOc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C22H24N2O4.2H3N/c23-17-1-5-19(6-2-17)25-13-15-27-21-9-11-22(12-10-21)28-16-14-26-20-7-3-18(24)4-8-20;;/h1-12H,13-16,23-24H2;2*1H3
InChIKeyVRPLJTYHLZSXOJ-UHFFFAOYSA-N
XLogP4.09
TPSA158.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
4-[2-(2,6-dibromophenoxy)ethoxy]aniline
CID 43366084
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
4-(2-pentoxyethoxy)aniline
CID 43274923

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane?
The IUPAC name of 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane (CID 67942387) is 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane.
What is the SMILES notation for 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane?
The canonical SMILES for 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane is N.N.Nc1ccc(OCCOc2ccc(OCCOc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane?
The InChIKey is VRPLJTYHLZSXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4.2H3N/c23-17-1-5-19(6-2-17)25-13-15-27-21-9-11-22(12-10-21)28-16-14-26-20-7-3-18(24)4-8-20;;/h1-12H,13-16,23-24H2;2*1H3.
What are the key properties of 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane?
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane has a molecular weight of 414.51 g/mol, XLogP of 4.09, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane is sourced from PubChem (CID 67942387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).