1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine

C15H24FN3O — CID 115952490

IUPAC1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCN1CCN(C)CC1
InChIInChI=1S/C15H24FN3O/c1-17-12-13-4-3-5-14(16)15(13)20-11-10-19-8-6-18(2)7-9-19/h3-5,17H,6-12H2,1-2H3
InChIKeyDKDQAZWFATVIBV-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.17
Rot. Bonds6

About 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 115952490) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID115952490
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCN1CCN(C)CC1
InChIInChI=1S/C15H24FN3O/c1-17-12-13-4-3-5-14(16)15(13)20-11-10-19-8-6-18(2)7-9-19/h3-5,17H,6-12H2,1-2H3
InChIKeyDKDQAZWFATVIBV-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955088
1-[3-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911149
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 112608841
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 115952490) is 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(F)c1OCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is DKDQAZWFATVIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-17-12-13-4-3-5-14(16)15(13)20-11-10-19-8-6-18(2)7-9-19/h3-5,17H,6-12H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 281.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 115952490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).