1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine

C14H20F2N2O2 — CID 79886928

IUPAC1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-17-7-10-5-12(15)14(13(16)6-10)20-9-11-8-18(2)3-4-19-11/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeySUUWLGXBGSUGSY-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.39
Rot. Bonds5

About 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 79886928) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID79886928
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-17-7-10-5-12(15)14(13(16)6-10)20-9-11-8-18(2)3-4-19-11/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeySUUWLGXBGSUGSY-UHFFFAOYSA-N
XLogP1.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 79172273
N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687677
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107693270
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
2-[3,5-dichloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182988
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 79166000
[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 79171963

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 79886928) is 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(F)c(OCC2CN(C)CCO2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is SUUWLGXBGSUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-17-7-10-5-12(15)14(13(16)6-10)20-9-11-8-18(2)3-4-19-11/h5-6,11,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 286.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 79886928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).