N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine

C17H20FNO2 — CID 82353872

IUPACN-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine
SMILESCOc1ccc(F)cc1COCCNCc1ccccc1
InChIInChI=1S/C17H20FNO2/c1-20-17-8-7-16(18)11-15(17)13-21-10-9-19-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeySJRMITPJXSLYPA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.14
Rot. Bonds8

About N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine

N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine (PubChem CID 82353872) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine
PubChem CID82353872
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine
SMILESCOc1ccc(F)cc1COCCNCc1ccccc1
InChIInChI=1S/C17H20FNO2/c1-20-17-8-7-16(18)11-15(17)13-21-10-9-19-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeySJRMITPJXSLYPA-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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine?
The IUPAC name of N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine (CID 82353872) is N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine is COc1ccc(F)cc1COCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine?
The InChIKey is SJRMITPJXSLYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-17-8-7-16(18)11-15(17)13-21-10-9-19-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12-13H2,1H3.
What are the key properties of N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine?
N-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine 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-benzyl-2-[(5-fluoro-2-methoxyphenyl)methoxy]ethanamine is sourced from PubChem (CID 82353872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).