3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline

C27H26N2O2 — CID 19042672

IUPAC3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
SMILESCCC(c1ccccc1Oc1cccc(N)c1)c1ccccc1Oc1cccc(N)c1
InChIInChI=1S/C27H26N2O2/c1-2-23(24-13-3-5-15-26(24)30-21-11-7-9-19(28)17-21)25-14-4-6-16-27(25)31-22-12-8-10-20(29)18-22/h3-18,23H,2,28-29H2,1H3
InChIKeyZADXXSHPQXOYSH-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.98
Rot. Bonds7

About 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline

3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline (PubChem CID 19042672) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
PubChem CID19042672
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
SMILESCCC(c1ccccc1Oc1cccc(N)c1)c1ccccc1Oc1cccc(N)c1
InChIInChI=1S/C27H26N2O2/c1-2-23(24-13-3-5-15-26(24)30-21-11-7-9-19(28)17-21)25-14-4-6-16-27(25)31-22-12-8-10-20(29)18-22/h3-18,23H,2,28-29H2,1H3
InChIKeyZADXXSHPQXOYSH-UHFFFAOYSA-N
XLogP6.98
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 ≤ 56.98
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

3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[2-[2-[2-(4-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 175411633
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-ethylphenoxy]-2-ethylphenoxy]phenoxy]aniline
CID 22338395
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[2-[2-[2-(3-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 22483776
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
The IUPAC name of 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline (CID 19042672) is 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline.
What is the SMILES notation for 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
The canonical SMILES for 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline is CCC(c1ccccc1Oc1cccc(N)c1)c1ccccc1Oc1cccc(N)c1.
What is the InChIKey of 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
The InChIKey is ZADXXSHPQXOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-2-23(24-13-3-5-15-26(24)30-21-11-7-9-19(28)17-21)25-14-4-6-16-27(25)31-22-12-8-10-20(29)18-22/h3-18,23H,2,28-29H2,1H3.
What are the key properties of 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline?
3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline has a molecular weight of 410.52 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline is sourced from PubChem (CID 19042672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).