3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline

C27H26N2O2 — CID 18363747

IUPAC3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
SMILESCC(Cc1ccc(Oc2cccc(N)c2)cc1)c1ccc(Oc2cccc(N)c2)cc1
InChIInChI=1S/C27H26N2O2/c1-19(21-10-14-25(15-11-21)31-27-7-3-5-23(29)18-27)16-20-8-12-24(13-9-20)30-26-6-2-4-22(28)17-26/h2-15,17-19H,16,28-29H2,1H3
InChIKeyXHJZOYDNJQVAJO-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.78
Rot. Bonds7

About 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline

3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline (PubChem CID 18363747) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
PubChem CID18363747
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
SMILESCC(Cc1ccc(Oc2cccc(N)c2)cc1)c1ccc(Oc2cccc(N)c2)cc1
InChIInChI=1S/C27H26N2O2/c1-19(21-10-14-25(15-11-21)31-27-7-3-5-23(29)18-27)16-20-8-12-24(13-9-20)30-26-6-2-4-22(28)17-26/h2-15,17-19H,16,28-29H2,1H3
InChIKeyXHJZOYDNJQVAJO-UHFFFAOYSA-N
XLogP6.78
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[4-[2-[4-(3-amino-4-hydroxyphenoxy)phenyl]propyl]phenoxy]phenol;hydrochloride
CID 141293765
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
CID 67706104
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
CID 141141650
ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen
CID 145261840
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
4-[(2R)-2-(3-aminophenyl)propyl]phenol
CID 174733885
bis(4-(3-aminophenoxy)phenol);propane
CID 160970916
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
2-methyl-5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propyl]phenoxy]isoindole-1,3-dione
CID 140936134

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
The IUPAC name of 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline (CID 18363747) is 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline.
What is the SMILES notation for 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
The canonical SMILES for 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline is CC(Cc1ccc(Oc2cccc(N)c2)cc1)c1ccc(Oc2cccc(N)c2)cc1.
What is the InChIKey of 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
The InChIKey is XHJZOYDNJQVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19(21-10-14-25(15-11-21)31-27-7-3-5-23(29)18-27)16-20-8-12-24(13-9-20)30-26-6-2-4-22(28)17-26/h2-15,17-19H,16,28-29H2,1H3.
What are the key properties of 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline has a molecular weight of 410.52 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline is sourced from PubChem (CID 18363747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).