[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine

C12H16F2N2O — CID 82293325

IUPAC[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine
SMILESCC1CN(c2ccc(F)cc2F)CC(CN)O1
InChIInChI=1S/C12H16F2N2O/c1-8-6-16(7-10(5-15)17-8)12-3-2-9(13)4-11(12)14/h2-4,8,10H,5-7,15H2,1H3
InChIKeyQQMVDTVNUJTFPN-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.52
Rot. Bonds2

About [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine

[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine (PubChem CID 82293325) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine
PubChem CID82293325
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine
SMILESCC1CN(c2ccc(F)cc2F)CC(CN)O1
InChIInChI=1S/C12H16F2N2O/c1-8-6-16(7-10(5-15)17-8)12-3-2-9(13)4-11(12)14/h2-4,8,10H,5-7,15H2,1H3
InChIKeyQQMVDTVNUJTFPN-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82299005
[6-methyl-4-(2,4,6-trimethylphenyl)morpholin-2-yl]methanamine
CID 82296607
[4-(7-chloroquinolin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938625
3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine
CID 171417189
2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004286
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[(1R,5S)-6-methyl-7-oxo-3-azabicyclo[3.1.1]heptan-3-yl]phenyl]-1,3-oxazolidin-2-one
CID 11002118
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
[4-(4-ethoxyphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82297535
[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932063
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea
CID 55929677
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarbothioamide
CID 107935325

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine (CID 82293325) is [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine is CC1CN(c2ccc(F)cc2F)CC(CN)O1.
What is the InChIKey of [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine?
The InChIKey is QQMVDTVNUJTFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-6-16(7-10(5-15)17-8)12-3-2-9(13)4-11(12)14/h2-4,8,10H,5-7,15H2,1H3.
What are the key properties of [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine?
[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine has a molecular weight of 242.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 82293325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).