1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

C13H19FN2O — CID 79093150

IUPAC1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CN(C)CCO1
InChIInChI=1S/C13H19FN2O/c1-15-13(10-4-3-5-11(14)8-10)12-9-16(2)6-7-17-12/h3-5,8,12-13,15H,6-7,9H2,1-2H3
InChIKeyIXABZMLHCHURSY-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.42
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79093150) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID79093150
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CN(C)CCO1
InChIInChI=1S/C13H19FN2O/c1-15-13(10-4-3-5-11(14)8-10)12-9-16(2)6-7-17-12/h3-5,8,12-13,15H,6-7,9H2,1-2H3
InChIKeyIXABZMLHCHURSY-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093840
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 82770581
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79739614
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 106942771
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658091
N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 79094970
N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79703912
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
N-methyl-1-(4-methylmorpholin-2-yl)-1-quinolin-5-ylmethanamine
CID 81231144

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (CID 79093150) is 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is CNC(c1cccc(F)c1)C1CN(C)CCO1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is IXABZMLHCHURSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-15-13(10-4-3-5-11(14)8-10)12-9-16(2)6-7-17-12/h3-5,8,12-13,15H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79093150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).