1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine

C12H18FN3O — CID 105388790

IUPAC1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCOC(C)C2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-8-16(5-6-17-9)12-11(13)10(7-14-2)3-4-15-12/h3-4,9,14H,5-8H2,1-2H3
InChIKeyHZKXZVKOUCMDLJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.17
Rot. Bonds3

About 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105388790) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105388790
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCOC(C)C2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-8-16(5-6-17-9)12-11(13)10(7-14-2)3-4-15-12/h3-4,9,14H,5-8H2,1-2H3
InChIKeyHZKXZVKOUCMDLJ-UHFFFAOYSA-N
XLogP1.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388788
N-methyl-1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62285958
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389603
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008
1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389757
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389819
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methanol
CID 61254368
N-[[2-(3,4-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105387593
2-methyl-N-[[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55134819
N-methyl-1-[2-[(2-methylmorpholin-4-yl)methyl]-3-pyridinyl]methanamine
CID 114198961

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine (CID 105388790) is 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CCOC(C)C2)c1F.
What is the InChIKey of 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is HZKXZVKOUCMDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9-8-16(5-6-17-9)12-11(13)10(7-14-2)3-4-15-12/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105388790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).