N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine

C16H22F2N2O — CID 63051584

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESCC1CN(c2c(F)cc(CNC3CC3)cc2F)CC(C)O1
InChIInChI=1S/C16H22F2N2O/c1-10-8-20(9-11(2)21-10)16-14(17)5-12(6-15(16)18)7-19-13-3-4-13/h5-6,10-11,13,19H,3-4,7-9H2,1-2H3
InChIKeyKQGHTOOUQADYMU-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.83
Rot. Bonds4

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

N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine (PubChem CID 63051584) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
PubChem CID63051584
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESCC1CN(c2c(F)cc(CNC3CC3)cc2F)CC(C)O1
InChIInChI=1S/C16H22F2N2O/c1-10-8-20(9-11(2)21-10)16-14(17)5-12(6-15(16)18)7-19-13-3-4-13/h5-6,10-11,13,19H,3-4,7-9H2,1-2H3
InChIKeyKQGHTOOUQADYMU-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.83
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-[[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]cyclopropanamine
CID 66371335
1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051245
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
(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
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
CID 84753547
1-[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylmethanamine
CID 66371529
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076994
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine (CID 63051584) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine is CC1CN(c2c(F)cc(CNC3CC3)cc2F)CC(C)O1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
The InChIKey is KQGHTOOUQADYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-10-8-20(9-11(2)21-10)16-14(17)5-12(6-15(16)18)7-19-13-3-4-13/h5-6,10-11,13,19H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine has a molecular weight of 296.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63051584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).