N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine

C21H27FN2O — CID 88690140

IUPACN-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine
SMILESCN(C)CCCc1ccccc1CCCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O/c1-24(2)16-6-10-18-8-4-3-7-17(18)9-5-11-21(23-25)19-12-14-20(22)15-13-19/h3-4,7-8,12-15,25H,5-6,9-11,16H2,1-2H3
InChIKeyXHDGZNOYNBOLIW-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.52
Rot. Bonds9

About N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine

N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine (PubChem CID 88690140) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine
PubChem CID88690140
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC NameN-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine
SMILESCN(C)CCCc1ccccc1CCCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O/c1-24(2)16-6-10-18-8-4-3-7-17(18)9-5-11-21(23-25)19-12-14-20(22)15-13-19/h3-4,7-8,12-15,25H,5-6,9-11,16H2,1-2H3
InChIKeyXHDGZNOYNBOLIW-UHFFFAOYSA-N
XLogP4.52
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
The IUPAC name of N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine (CID 88690140) is N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine.
What is the SMILES notation for N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
The canonical SMILES for N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine is CN(C)CCCc1ccccc1CCCC(=NO)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
The InChIKey is XHDGZNOYNBOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-24(2)16-6-10-18-8-4-3-7-17(18)9-5-11-21(23-25)19-12-14-20(22)15-13-19/h3-4,7-8,12-15,25H,5-6,9-11,16H2,1-2H3.
What are the key properties of N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine has a molecular weight of 342.46 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(dimethylamino)propyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine is sourced from PubChem (CID 88690140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).