N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine

C22H22FNO — CID 15880805

IUPACN-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
SMILESFc1ccc(CN(CCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C22H22FNO/c23-22-13-11-20(12-14-22)17-24(16-15-19-7-3-1-4-8-19)25-18-21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKeyALMIWOQOFGRBLS-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.00
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine

N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine (PubChem CID 15880805) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
PubChem CID15880805
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
SMILESFc1ccc(CN(CCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C22H22FNO/c23-22-13-11-20(12-14-22)17-24(16-15-19-7-3-1-4-8-19)25-18-21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKeyALMIWOQOFGRBLS-UHFFFAOYSA-N
XLogP5.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine (CID 15880805) is N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine is Fc1ccc(CN(CCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine?
The InChIKey is ALMIWOQOFGRBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c23-22-13-11-20(12-14-22)17-24(16-15-19-7-3-1-4-8-19)25-18-21-9-5-2-6-10-21/h1-14H,15-18H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine?
N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine has a molecular weight of 335.42 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine is sourced from PubChem (CID 15880805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).