3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine

C14H23FN2O — CID 114524943

IUPAC3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCc1cc(F)cc(OCCCN(C)C)c1
InChIInChI=1S/C14H23FN2O/c1-4-16-11-12-8-13(15)10-14(9-12)18-7-5-6-17(2)3/h8-10,16H,4-7,11H2,1-3H3
InChIKeyBSYLKJIKKJGGBY-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.27
Rot. Bonds8

About 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine

3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 114524943) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
PubChem CID114524943
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCc1cc(F)cc(OCCCN(C)C)c1
InChIInChI=1S/C14H23FN2O/c1-4-16-11-12-8-13(15)10-14(9-12)18-7-5-6-17(2)3/h8-10,16H,4-7,11H2,1-3H3
InChIKeyBSYLKJIKKJGGBY-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.27
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-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol
CID 114492432
N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527311
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 92921079
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418
2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 107742092
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 106532961
3-[[3-fluoro-5-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492451

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine (CID 114524943) is 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine is CCNCc1cc(F)cc(OCCCN(C)C)c1.
What is the InChIKey of 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is BSYLKJIKKJGGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-16-11-12-8-13(15)10-14(9-12)18-7-5-6-17(2)3/h8-10,16H,4-7,11H2,1-3H3.
What are the key properties of 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine?
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 254.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114524943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).