N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine

C17H20FNO2 — CID 112610838

IUPACN-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C17H20FNO2/c1-20-11-10-19-12-15-8-5-9-16(18)17(15)21-13-14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3
InChIKeyCKSJEOVJXSUXNB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.14
Rot. Bonds8

About N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine

N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 112610838) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID112610838
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C17H20FNO2/c1-20-11-10-19-12-15-8-5-9-16(18)17(15)21-13-14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3
InChIKeyCKSJEOVJXSUXNB-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

2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
3-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-2,2-dimethylpropanoic acid
CID 115955466
N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107041645
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine (CID 112610838) is N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine is COCCNCc1cccc(F)c1OCc1ccccc1.
What is the InChIKey of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is CKSJEOVJXSUXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-11-10-19-12-15-8-5-9-16(18)17(15)21-13-14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3.
What are the key properties of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
N-[(3-fluoro-2-phenylmethoxyphenyl)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-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 112610838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).