2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

C22H22FNO — CID 4718442

IUPAC2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESFc1ccccc1CCNCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H22FNO/c23-22-12-5-4-10-20(22)13-14-24-16-19-9-6-11-21(15-19)25-17-18-7-2-1-3-8-18/h1-12,15,24H,13-14,16-17H2
InChIKeyHKCDWFSBXIVOBU-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.74
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 4718442) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID4718442
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESFc1ccccc1CCNCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H22FNO/c23-22-12-5-4-10-20(22)13-14-24-16-19-9-6-11-21(15-19)25-17-18-7-2-1-3-8-18/h1-12,15,24H,13-14,16-17H2
InChIKeyHKCDWFSBXIVOBU-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.74
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-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 39454348
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
CID 115211996
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
CID 119115289

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (CID 4718442) is 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine is Fc1ccccc1CCNCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is HKCDWFSBXIVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c23-22-12-5-4-10-20(22)13-14-24-16-19-9-6-11-21(15-19)25-17-18-7-2-1-3-8-18/h1-12,15,24H,13-14,16-17H2.
What are the key properties of 2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 335.42 g/mol, XLogP of 4.74, 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-[(3-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 4718442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).