1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine

C13H18FNO2 — CID 107695044

IUPAC1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1OC1CCCOC1
InChIInChI=1S/C13H18FNO2/c1-15-8-10-7-11(14)4-5-13(10)17-12-3-2-6-16-9-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyLVAAXZRTBUEXGS-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.10
Rot. Bonds4

About 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine

1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine (PubChem CID 107695044) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
PubChem CID107695044
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1OC1CCCOC1
InChIInChI=1S/C13H18FNO2/c1-15-8-10-7-11(14)4-5-13(10)17-12-3-2-6-16-9-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyLVAAXZRTBUEXGS-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
1-[5-fluoro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]-N-methylmethanamine
CID 107695140
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine
CID 107134305
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 107695883
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
1-[3-bromo-5-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107134312

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine (CID 107695044) is 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1OC1CCCOC1.
What is the InChIKey of 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is LVAAXZRTBUEXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-15-8-10-7-11(14)4-5-13(10)17-12-3-2-6-16-9-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine?
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107695044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).