3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline

C27H24N2O2 — CID 89312244

IUPAC3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline
SMILESNc1cccc(COc2ccc3c(c2)Cc2cc(OCc4cccc(N)c4)ccc2-3)c1
InChIInChI=1S/C27H24N2O2/c28-22-5-1-3-18(11-22)16-30-24-7-9-26-20(14-24)13-21-15-25(8-10-27(21)26)31-17-19-4-2-6-23(29)12-19/h1-12,14-15H,13,16-17,28-29H2
InChIKeyFKYXCIORCVZDIZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.58
Rot. Bonds6

About 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline

3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline (PubChem CID 89312244) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline.

Molecular Properties

Compound Name3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline
PubChem CID89312244
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline
SMILESNc1cccc(COc2ccc3c(c2)Cc2cc(OCc4cccc(N)c4)ccc2-3)c1
InChIInChI=1S/C27H24N2O2/c28-22-5-1-3-18(11-22)16-30-24-7-9-26-20(14-24)13-21-15-25(8-10-27(21)26)31-17-19-4-2-6-23(29)12-19/h1-12,14-15H,13,16-17,28-29H2
InChIKeyFKYXCIORCVZDIZ-UHFFFAOYSA-N
XLogP5.58
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline?
The IUPAC name of 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline (CID 89312244) is 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline.
What is the SMILES notation for 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline?
The canonical SMILES for 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline is Nc1cccc(COc2ccc3c(c2)Cc2cc(OCc4cccc(N)c4)ccc2-3)c1.
What is the InChIKey of 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline?
The InChIKey is FKYXCIORCVZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c28-22-5-1-3-18(11-22)16-30-24-7-9-26-20(14-24)13-21-15-25(8-10-27(21)26)31-17-19-4-2-6-23(29)12-19/h1-12,14-15H,13,16-17,28-29H2.
What are the key properties of 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline?
3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline has a molecular weight of 408.50 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline is sourced from PubChem (CID 89312244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).