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

C15H24FNO2 — CID 112610863

IUPACN-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCOc1c(F)cccc1CNCCOC
InChIInChI=1S/C15H24FNO2/c1-3-4-5-10-19-15-13(7-6-8-14(15)16)12-17-9-11-18-2/h6-8,17H,3-5,9-12H2,1-2H3
InChIKeyOZAOJUQBHKWLDZ-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.13
Rot. Bonds10

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

N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 112610863) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID112610863
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCOc1c(F)cccc1CNCCOC
InChIInChI=1S/C15H24FNO2/c1-3-4-5-10-19-15-13(7-6-8-14(15)16)12-17-9-11-18-2/h6-8,17H,3-5,9-12H2,1-2H3
InChIKeyOZAOJUQBHKWLDZ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.13
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-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
CID 112610843
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine (CID 112610863) is N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine is CCCCCOc1c(F)cccc1CNCCOC.
What is the InChIKey of N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is OZAOJUQBHKWLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-4-5-10-19-15-13(7-6-8-14(15)16)12-17-9-11-18-2/h6-8,17H,3-5,9-12H2,1-2H3.
What are the key properties of N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine?
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 269.36 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 112610863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).