2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine

C12H15F2NO — CID 82287919

IUPAC2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine
SMILESCC1CNCC(Cc2ccc(F)cc2F)O1
InChIInChI=1S/C12H15F2NO/c1-8-6-15-7-11(16-8)4-9-2-3-10(13)5-12(9)14/h2-3,5,8,11,15H,4,6-7H2,1H3
InChIKeyRZXCSTNFVDQWEW-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.88
Rot. Bonds2

About 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine

2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine (PubChem CID 82287919) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine
PubChem CID82287919
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine
SMILESCC1CNCC(Cc2ccc(F)cc2F)O1
InChIInChI=1S/C12H15F2NO/c1-8-6-15-7-11(16-8)4-9-2-3-10(13)5-12(9)14/h2-3,5,8,11,15H,4,6-7H2,1H3
InChIKeyRZXCSTNFVDQWEW-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine
CID 170961562
N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633650
6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one
CID 116817354
2-methyl-6-[(4-nitrophenyl)methyl]morpholine
CID 82291579
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine
CID 106777987
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
7-[(2,4-difluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11392054
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 102568503
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine (CID 82287919) is 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine is CC1CNCC(Cc2ccc(F)cc2F)O1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine?
The InChIKey is RZXCSTNFVDQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8-6-15-7-11(16-8)4-9-2-3-10(13)5-12(9)14/h2-3,5,8,11,15H,4,6-7H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine?
2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine has a molecular weight of 227.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine is sourced from PubChem (CID 82287919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).