2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine

C24H22N2O4 — CID 123347204

IUPAC2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine
SMILESNCCOCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C24H22N2O4/c25-11-12-29-13-14-30-24-8-4-1-5-17(24)15-22-20-7-3-2-6-19(20)21-10-9-18(26(27)28)16-23(21)22/h1-10,15-16H,11-14,25H2
InChIKeyYDFBIWOECIIUHV-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.52
Rot. Bonds8

About 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine

2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine (PubChem CID 123347204) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine
PubChem CID123347204
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine
SMILESNCCOCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C24H22N2O4/c25-11-12-29-13-14-30-24-8-4-1-5-17(24)15-22-20-7-3-2-6-19(20)21-10-9-18(26(27)28)16-23(21)22/h1-10,15-16H,11-14,25H2
InChIKeyYDFBIWOECIIUHV-UHFFFAOYSA-N
XLogP4.52
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine (CID 123347204) is 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine is NCCOCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine?
The InChIKey is YDFBIWOECIIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c25-11-12-29-13-14-30-24-8-4-1-5-17(24)15-22-20-7-3-2-6-19(20)21-10-9-18(26(27)28)16-23(21)22/h1-10,15-16H,11-14,25H2.
What are the key properties of 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine?
2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine has a molecular weight of 402.45 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethoxy]ethanamine is sourced from PubChem (CID 123347204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).