1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine

C13H20FNO2 — CID 112608765

IUPAC1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCOC(C)C
InChIInChI=1S/C13H20FNO2/c1-10(2)16-7-8-17-13-11(9-15-3)5-4-6-12(13)14/h4-6,10,15H,7-9H2,1-3H3
InChIKeyRMSSDEQPMFWHEL-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.35
Rot. Bonds7

About 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine (PubChem CID 112608765) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
PubChem CID112608765
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCOC(C)C
InChIInChI=1S/C13H20FNO2/c1-10(2)16-7-8-17-13-11(9-15-3)5-4-6-12(13)14/h4-6,10,15H,7-9H2,1-3H3
InChIKeyRMSSDEQPMFWHEL-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.35
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-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
(1S)-1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 114058877
1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 115952490
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
N-[[3-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 112610346
1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 112608780
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 112608841
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine (CID 112608765) is 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(F)c1OCCOC(C)C.
What is the InChIKey of 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine?
The InChIKey is RMSSDEQPMFWHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(2)16-7-8-17-13-11(9-15-3)5-4-6-12(13)14/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of 1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.35, 7 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-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).