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

C15H22F2N2O — CID 63051412

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-4-18-7-12-5-13(16)15(14(17)6-12)19-8-10(2)20-11(3)9-19/h5-6,10-11,18H,4,7-9H2,1-3H3
InChIKeyKMCQXHQWAFBKED-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.69
Rot. Bonds4

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

N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 63051412) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
PubChem CID63051412
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-4-18-7-12-5-13(16)15(14(17)6-12)19-8-10(2)20-11(3)9-19/h5-6,10-11,18H,4,7-9H2,1-3H3
InChIKeyKMCQXHQWAFBKED-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051245
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
CID 59545402
N-[[3,5-difluoro-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114538745
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63051584
[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63051244
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
N-[(3,5-difluoro-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 63051774
N-[[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 63075776
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
N-[[3,5-difluoro-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114594244
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067
1-[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylmethanamine
CID 66371529

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine (CID 63051412) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is KMCQXHQWAFBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-4-18-7-12-5-13(16)15(14(17)6-12)19-8-10(2)20-11(3)9-19/h5-6,10-11,18H,4,7-9H2,1-3H3.
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 284.35 g/mol, XLogP of 2.69, 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]ethanamine is sourced from PubChem (CID 63051412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).