3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine

C23H20N2O3 — CID 123651547

IUPAC3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine
SMILESNCCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H20N2O3/c24-12-5-13-28-23-9-4-1-6-16(23)14-21-19-8-3-2-7-18(19)20-11-10-17(25(26)27)15-22(20)21/h1-4,6-11,14-15H,5,12-13,24H2
InChIKeyJQMAOPHQNFQFRQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.89
Rot. Bonds6

About 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine

3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine (PubChem CID 123651547) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine
PubChem CID123651547
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine
SMILESNCCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H20N2O3/c24-12-5-13-28-23-9-4-1-6-16(23)14-21-19-8-3-2-7-18(19)20-11-10-17(25(26)27)15-22(20)21/h1-4,6-11,14-15H,5,12-13,24H2
InChIKeyJQMAOPHQNFQFRQ-UHFFFAOYSA-N
XLogP4.89
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine?
The IUPAC name of 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine (CID 123651547) is 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine?
The canonical SMILES for 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine is NCCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine?
The InChIKey is JQMAOPHQNFQFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c24-12-5-13-28-23-9-4-1-6-16(23)14-21-19-8-3-2-7-18(19)20-11-10-17(25(26)27)15-22(20)21/h1-4,6-11,14-15H,5,12-13,24H2.
What are the key properties of 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine?
3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine has a molecular weight of 372.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]propan-1-amine is sourced from PubChem (CID 123651547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).