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

C23H20N2O3 — CID 155552036

IUPACN-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine
SMILESCNCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H20N2O3/c1-24-12-13-28-23-9-5-2-6-16(23)14-21-19-8-4-3-7-18(19)20-11-10-17(25(26)27)15-22(20)21/h2-11,14-15,24H,12-13H2,1H3
InChIKeyCUNZLBBUEFQIEU-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.76
Rot. Bonds6

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

N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine (PubChem CID 155552036) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine
PubChem CID155552036
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine
SMILESCNCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H20N2O3/c1-24-12-13-28-23-9-5-2-6-16(23)14-21-19-8-4-3-7-18(19)20-11-10-17(25(26)27)15-22(20)21/h2-11,14-15,24H,12-13H2,1H3
InChIKeyCUNZLBBUEFQIEU-UHFFFAOYSA-N
XLogP4.76
TPSA64.40 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 ≤ 54.76
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 N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine?
The IUPAC name of N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine (CID 155552036) is N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine?
The canonical SMILES for N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine is CNCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine?
The InChIKey is CUNZLBBUEFQIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-24-12-13-28-23-9-5-2-6-16(23)14-21-19-8-4-3-7-18(19)20-11-10-17(25(26)27)15-22(20)21/h2-11,14-15,24H,12-13H2,1H3.
What are the key properties of N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine?
N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine has a molecular weight of 372.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethanamine is sourced from PubChem (CID 155552036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).