4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline

C22H24N2O2 — CID 19025155

IUPAC4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline
SMILESCCCCc1cc(Oc2ccc(N)cc2)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C22H24N2O2/c1-2-3-4-16-15-21(25-19-9-5-17(23)6-10-19)13-14-22(16)26-20-11-7-18(24)8-12-20/h5-15H,2-4,23-24H2,1H3
InChIKeyRIEQDROEZXYWHJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.78
Rot. Bonds7

About 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline

4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline (PubChem CID 19025155) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline
PubChem CID19025155
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline
SMILESCCCCc1cc(Oc2ccc(N)cc2)ccc1Oc1ccc(N)cc1
InChIInChI=1S/C22H24N2O2/c1-2-3-4-16-15-21(25-19-9-5-17(23)6-10-19)13-14-22(16)26-20-11-7-18(24)8-12-20/h5-15H,2-4,23-24H2,1H3
InChIKeyRIEQDROEZXYWHJ-UHFFFAOYSA-N
XLogP5.78
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.78
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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Related Compounds

4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543
4-(4-bromo-2-ethylphenoxy)aniline
CID 22688224
4-[4-[9-[4-(4-aminophenoxy)-3-propylphenyl]fluoren-9-yl]-2-propylphenoxy]aniline
CID 67410970
2-(4-amino-2-butylphenoxy)ethanol
CID 142157339
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
1-bromo-2-pentadecyl-4-phenoxybenzene
CID 59297150
4-(4-aminophenoxy)aniline
CID 161415647
1,2-dimethyl-3-[4-(3-methyl-4-pentylphenoxy)phenoxy]benzene
CID 167138417
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline?
The IUPAC name of 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline (CID 19025155) is 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline.
What is the SMILES notation for 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline?
The canonical SMILES for 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline is CCCCc1cc(Oc2ccc(N)cc2)ccc1Oc1ccc(N)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline?
The InChIKey is RIEQDROEZXYWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-3-4-16-15-21(25-19-9-5-17(23)6-10-19)13-14-22(16)26-20-11-7-18(24)8-12-20/h5-15H,2-4,23-24H2,1H3.
What are the key properties of 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline?
4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline has a molecular weight of 348.45 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline is sourced from PubChem (CID 19025155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).