N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine

C16H18FNO2 — CID 63072700

IUPACN-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-10-9-18-12-13-5-7-15(8-6-13)20-16-4-2-3-14(17)11-16/h2-8,11,18H,9-10,12H2,1H3
InChIKeyVIYWDHPLFBVBIC-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.35
Rot. Bonds7

About N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine

N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63072700) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID63072700
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-10-9-18-12-13-5-7-15(8-6-13)20-16-4-2-3-14(17)11-16/h2-8,11,18H,9-10,12H2,1H3
InChIKeyVIYWDHPLFBVBIC-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.35
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-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 64856002
N-[[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63072327
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 19069340
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199476

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine (CID 63072700) is N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is VIYWDHPLFBVBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-10-9-18-12-13-5-7-15(8-6-13)20-16-4-2-3-14(17)11-16/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63072700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).