N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine

C22H18FNO — CID 134942132

IUPACN-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine
SMILESON(Cc1ccccc1)C(C#Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18FNO/c23-21-14-12-20(13-15-21)22(16-11-18-7-3-1-4-8-18)24(25)17-19-9-5-2-6-10-19/h1-10,12-15,22,25H,17H2
InChIKeyISFPBUVYVUHMHY-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.81
Rot. Bonds4

About N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine

N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine (PubChem CID 134942132) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine
PubChem CID134942132
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC NameN-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine
SMILESON(Cc1ccccc1)C(C#Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18FNO/c23-21-14-12-20(13-15-21)22(16-11-18-7-3-1-4-8-18)24(25)17-19-9-5-2-6-10-19/h1-10,12-15,22,25H,17H2
InChIKeyISFPBUVYVUHMHY-UHFFFAOYSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tribenzylamine N-oxide
CID 3624962
Benzyl-((R)-1-methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-amine
CID 44273383
Oxifentorex
CID 176171
Pyridine, 1,2,5,6-tetrahydro-2,4-diphenyl-3-methyl-1-(3-phenylpropyl-2-propynyl)-
CID 3021410
N-benzyl-N-[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 22197430
1-[1-(4-Fluorophenyl)-3-phenylprop-2-ynyl]piperidine
CID 25098635
(1,3-Diphenylprop-2-ynyl)diethylamine
CID 605673
N,N-dibenzyl-1-phenylpropan-2-amine
CID 68452127
N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109040
1-Benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 10061510
N-benzyl-N-[(3-fluorophenyl)methyl]-1-phenylmethanamine
CID 22197433
Flunarizine N-Oxide Dihydrochloride
CID 176478660

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine (CID 134942132) is N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine is ON(Cc1ccccc1)C(C#Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine?
The InChIKey is ISFPBUVYVUHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c23-21-14-12-20(13-15-21)22(16-11-18-7-3-1-4-8-18)24(25)17-19-9-5-2-6-10-19/h1-10,12-15,22,25H,17H2.
What are the key properties of N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine?
N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine has a molecular weight of 331.39 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine is sourced from PubChem (CID 134942132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).