N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C17H28FN3O — CID 84753551

IUPACN-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC1CN(c2cc(CNCCN(C)C)ccc2F)CC(C)O1
InChIInChI=1S/C17H28FN3O/c1-13-11-21(12-14(2)22-13)17-9-15(5-6-16(17)18)10-19-7-8-20(3)4/h5-6,9,13-14,19H,7-8,10-12H2,1-4H3
InChIKeyOTILQBULTUEARM-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.09
Rot. Bonds6

About N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 84753551) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID84753551
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC NameN-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC1CN(c2cc(CNCCN(C)C)ccc2F)CC(C)O1
InChIInChI=1S/C17H28FN3O/c1-13-11-21(12-14(2)22-13)17-9-15(5-6-16(17)18)10-19-7-8-20(3)4/h5-6,9,13-14,19H,7-8,10-12H2,1-4H3
InChIKeyOTILQBULTUEARM-UHFFFAOYSA-N
XLogP2.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 84753551) is N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine is CC1CN(c2cc(CNCCN(C)C)ccc2F)CC(C)O1.
What is the InChIKey of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OTILQBULTUEARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-13-11-21(12-14(2)22-13)17-9-15(5-6-16(17)18)10-19-7-8-20(3)4/h5-6,9,13-14,19H,7-8,10-12H2,1-4H3.
What are the key properties of N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 309.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 84753551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).