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

C22H29FN2O — CID 88690072

IUPACN-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine
SMILESCCN(CC)CCc1ccccc1CCCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O/c1-3-25(4-2)17-16-19-9-6-5-8-18(19)10-7-11-22(24-26)20-12-14-21(23)15-13-20/h5-6,8-9,12-15,26H,3-4,7,10-11,16-17H2,1-2H3
InChIKeyNOMZMERARGLTCK-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.91
Rot. Bonds10

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

N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine (PubChem CID 88690072) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine
PubChem CID88690072
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC NameN-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine
SMILESCCN(CC)CCc1ccccc1CCCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O/c1-3-25(4-2)17-16-19-9-6-5-8-18(19)10-7-11-22(24-26)20-12-14-21(23)15-13-20/h5-6,8-9,12-15,26H,3-4,7,10-11,16-17H2,1-2H3
InChIKeyNOMZMERARGLTCK-UHFFFAOYSA-N
XLogP4.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.91
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
The IUPAC name of N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine (CID 88690072) is N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine.
What is the SMILES notation for N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
The canonical SMILES for N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine is CCN(CC)CCc1ccccc1CCCC(=NO)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
The InChIKey is NOMZMERARGLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-3-25(4-2)17-16-19-9-6-5-8-18(19)10-7-11-22(24-26)20-12-14-21(23)15-13-20/h5-6,8-9,12-15,26H,3-4,7,10-11,16-17H2,1-2H3.
What are the key properties of N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine?
N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine has a molecular weight of 356.49 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(diethylamino)ethyl]phenyl]-1-(4-fluorophenyl)butylidene]hydroxylamine is sourced from PubChem (CID 88690072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).