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

C16H25FN2O — CID 107911149

IUPAC1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCC1CCCCN1C
InChIInChI=1S/C16H25FN2O/c1-18-12-13-6-5-8-15(17)16(13)20-11-9-14-7-3-4-10-19(14)2/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3
InChIKeyLJRZOOFPJOSOIG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds6

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

1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 107911149) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID107911149
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCC1CCCCN1C
InChIInChI=1S/C16H25FN2O/c1-18-12-13-6-5-8-15(17)16(13)20-11-9-14-7-3-4-10-19(14)2/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3
InChIKeyLJRZOOFPJOSOIG-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911151
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911135
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine (CID 107911149) is 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(F)c1OCCC1CCCCN1C.
What is the InChIKey of 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is LJRZOOFPJOSOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-18-12-13-6-5-8-15(17)16(13)20-11-9-14-7-3-4-10-19(14)2/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107911149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).