1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine

C17H27FN2O — CID 107911160

IUPAC1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC2CCCCN2C)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-13(19-2)14-7-8-17(16(18)12-14)21-11-9-15-6-4-5-10-20(15)3/h7-8,12-13,15,19H,4-6,9-11H2,1-3H3
InChIKeyDIPUZYMLPLMWTQ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.36
Rot. Bonds6

About 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine

1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine (PubChem CID 107911160) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
PubChem CID107911160
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC2CCCCN2C)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-13(19-2)14-7-8-17(16(18)12-14)21-11-9-15-6-4-5-10-20(15)3/h7-8,12-13,15,19H,4-6,9-11H2,1-3H3
InChIKeyDIPUZYMLPLMWTQ-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarbothioamide
CID 107912273
3-fluoro-N'-hydroxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912481
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
CID 107912332
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285198
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912877
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 114527299

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine (CID 107911160) is 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCC2CCCCN2C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine?
The InChIKey is DIPUZYMLPLMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13(19-2)14-7-8-17(16(18)12-14)21-11-9-15-6-4-5-10-20(15)3/h7-8,12-13,15,19H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine?
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine has a molecular weight of 294.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 107911160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).