1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine

C15H25FN2O — CID 107716917

IUPAC1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCCN(CC)CCOc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C15H25FN2O/c1-5-18(6-2)9-10-19-13-7-8-14(12(3)17-4)15(16)11-13/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyIBMNIPDUSOJRLY-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.83
Rot. Bonds8

About 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine

1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine (PubChem CID 107716917) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
PubChem CID107716917
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCCN(CC)CCOc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C15H25FN2O/c1-5-18(6-2)9-10-19-13-7-8-14(12(3)17-4)15(16)11-13/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyIBMNIPDUSOJRLY-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
1-[2-fluoro-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylethanamine
CID 107716449
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 107716918
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 114069423
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 65202424
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine (CID 107716917) is 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine is CCN(CC)CCOc1ccc(C(C)NC)c(F)c1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine?
The InChIKey is IBMNIPDUSOJRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-18(6-2)9-10-19-13-7-8-14(12(3)17-4)15(16)11-13/h7-8,11-12,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine?
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine has a molecular weight of 268.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 107716917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).