N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine

C13H20FNO2 — CID 112609648

IUPACN-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCCCOC
InChIInChI=1S/C13H20FNO2/c1-3-15-10-11-6-4-7-12(14)13(11)17-9-5-8-16-2/h4,6-7,15H,3,5,8-10H2,1-2H3
InChIKeyQNZKNQDSTYKEDA-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.35
Rot. Bonds8

About N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine

N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine (PubChem CID 112609648) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
PubChem CID112609648
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCCCOC
InChIInChI=1S/C13H20FNO2/c1-3-15-10-11-6-4-7-12(14)13(11)17-9-5-8-16-2/h4,6-7,15H,3,5,8-10H2,1-2H3
InChIKeyQNZKNQDSTYKEDA-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.35
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

1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
N-[[3-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032899
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
6-[2-(ethylaminomethyl)-6-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708883
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
CID 103180585
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine (CID 112609648) is N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCCCOC.
What is the InChIKey of N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The InChIKey is QNZKNQDSTYKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-15-10-11-6-4-7-12(14)13(11)17-9-5-8-16-2/h4,6-7,15H,3,5,8-10H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.35, 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-(3-methoxypropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 112609648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).