1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine

C14H20F2N2O — CID 63051245

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9-7-18(8-10(2)19-9)14-12(15)4-11(6-17-3)5-13(14)16/h4-5,9-10,17H,6-8H2,1-3H3
InChIKeySGEISBWKDMVHEU-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.30
Rot. Bonds3

About 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine

1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 63051245) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID63051245
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9-7-18(8-10(2)19-9)14-12(15)4-11(6-17-3)5-13(14)16/h4-5,9-10,17H,6-8H2,1-3H3
InChIKeySGEISBWKDMVHEU-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63051584
1-[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylmethanamine
CID 66371529
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
CID 59545402
[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63051244
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
[1-[2,6-difluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626635
1-[3-fluoro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62974161
4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine
CID 170064887
N-[[3,5-difluoro-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114538745
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
N-[[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]cyclopropanamine
CID 66371335

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine (CID 63051245) is 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine is CNCc1cc(F)c(N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is SGEISBWKDMVHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9-7-18(8-10(2)19-9)14-12(15)4-11(6-17-3)5-13(14)16/h4-5,9-10,17H,6-8H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 270.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 63051245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).