N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine

C17H20FNO2 — CID 4720382

IUPACN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1OCc1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-20-11-10-19-12-14-6-3-5-9-17(14)21-13-15-7-2-4-8-16(15)18/h2-9,19H,10-13H2,1H3
InChIKeyACXBCKOCWJQYGD-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.14
Rot. Bonds8

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

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 4720382) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID4720382
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1OCc1ccccc1F
InChIInChI=1S/C17H20FNO2/c1-20-11-10-19-12-14-6-3-5-9-17(14)21-13-15-7-2-4-8-16(15)18/h2-9,19H,10-13H2,1H3
InChIKeyACXBCKOCWJQYGD-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215455
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 4720764
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 4720382) is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1OCc1ccccc1F.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is ACXBCKOCWJQYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-11-10-19-12-14-6-3-5-9-17(14)21-13-15-7-2-4-8-16(15)18/h2-9,19H,10-13H2,1H3.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 4720382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).