N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine

C21H16BrNO2 — CID 2111284

IUPACN-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine
SMILESBrc1cccc(OCCON=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H16BrNO2/c22-15-6-5-7-16(14-15)24-12-13-25-23-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-11,14H,12-13H2
InChIKeyPYBKYICTJDEKEP-UHFFFAOYSA-N
MW394.27 g/mol
LogP5.28
Rot. Bonds5

About N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine

N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine (PubChem CID 2111284) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine
PubChem CID2111284
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC NameN-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine
SMILESBrc1cccc(OCCON=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H16BrNO2/c22-15-6-5-7-16(14-15)24-12-13-25-23-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-11,14H,12-13H2
InChIKeyPYBKYICTJDEKEP-UHFFFAOYSA-N
XLogP5.28
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.27
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-[2-(3-bromophenoxy)ethyl]indene-1,3-dione
CID 71217262
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine?
The IUPAC name of N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine (CID 2111284) is N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine is Brc1cccc(OCCON=C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine?
The InChIKey is PYBKYICTJDEKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO2/c22-15-6-5-7-16(14-15)24-12-13-25-23-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-11,14H,12-13H2.
What are the key properties of N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine?
N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine has a molecular weight of 394.27 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethoxy]fluoren-9-imine is sourced from PubChem (CID 2111284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).