2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine

C22H21F2NO — CID 4718343

IUPAC2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESFc1ccc(COc2ccccc2CNCCc2ccccc2F)cc1
InChIInChI=1S/C22H21F2NO/c23-20-11-9-17(10-12-20)16-26-22-8-4-2-6-19(22)15-25-14-13-18-5-1-3-7-21(18)24/h1-12,25H,13-16H2
InChIKeyDIRHQDMMOUZVOE-UHFFFAOYSA-N
MW353.41 g/mol
LogP4.88
Rot. Bonds8

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

2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 4718343) has the molecular formula C22H21F2NO and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID4718343
Molecular FormulaC22H21F2NO
Molecular Weight353.41 g/mol
Exact Mass353.16
IUPAC Name2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESFc1ccc(COc2ccccc2CNCCc2ccccc2F)cc1
InChIInChI=1S/C22H21F2NO/c23-20-11-9-17(10-12-20)16-26-22-8-4-2-6-19(22)15-25-14-13-18-5-1-3-7-21(18)24/h1-12,25H,13-16H2
InChIKeyDIRHQDMMOUZVOE-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155194
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212733
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718565
2-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054290

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (CID 4718343) is 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is Fc1ccc(COc2ccccc2CNCCc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is DIRHQDMMOUZVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO/c23-20-11-9-17(10-12-20)16-26-22-8-4-2-6-19(22)15-25-14-13-18-5-1-3-7-21(18)24/h1-12,25H,13-16H2.
What are the key properties of 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 353.41 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 4718343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).