N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine

C23H31FN2O — CID 88690208

IUPACN-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine
SMILESCCN(CC)CCc1ccccc1CCCCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C23H31FN2O/c1-3-26(4-2)18-17-20-11-6-5-9-19(20)10-7-8-12-23(25-27)21-13-15-22(24)16-14-21/h5-6,9,11,13-16,27H,3-4,7-8,10,12,17-18H2,1-2H3
InChIKeyPOHPDQYGPZQFCO-UHFFFAOYSA-N
MW370.51 g/mol
LogP5.30
Rot. Bonds11

About N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine

N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine (PubChem CID 88690208) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine
PubChem CID88690208
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC NameN-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine
SMILESCCN(CC)CCc1ccccc1CCCCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C23H31FN2O/c1-3-26(4-2)18-17-20-11-6-5-9-19(20)10-7-8-12-23(25-27)21-13-15-22(24)16-14-21/h5-6,9,11,13-16,27H,3-4,7-8,10,12,17-18H2,1-2H3
InChIKeyPOHPDQYGPZQFCO-UHFFFAOYSA-N
XLogP5.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]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-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine?
The IUPAC name of N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine (CID 88690208) is N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine.
What is the SMILES notation for N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine?
The canonical SMILES for N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine is CCN(CC)CCc1ccccc1CCCCC(=NO)c1ccc(F)cc1.
What is the InChIKey of N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine?
The InChIKey is POHPDQYGPZQFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-3-26(4-2)18-17-20-11-6-5-9-19(20)10-7-8-12-23(25-27)21-13-15-22(24)16-14-21/h5-6,9,11,13-16,27H,3-4,7-8,10,12,17-18H2,1-2H3.
What are the key properties of N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine?
N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine has a molecular weight of 370.51 g/mol, XLogP of 5.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)pentylidene]hydroxylamine is sourced from PubChem (CID 88690208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).