N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine

C15H24FN3O — CID 105390520

IUPACN-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C15H24FN3O/c1-4-6-17-8-13-5-7-18-15(14(13)16)19-9-11(2)20-12(3)10-19/h5,7,11-12,17H,4,6,8-10H2,1-3H3/t11-,12+
InChIKeyBXUJBKAJQCAMDZ-TXEJJXNPSA-N
MW281.38 g/mol
LogP2.33
Rot. Bonds5

About N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine

N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105390520) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
PubChem CID105390520
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC NameN-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C15H24FN3O/c1-4-6-17-8-13-5-7-18-15(14(13)16)19-9-11(2)20-12(3)10-19/h5,7,11-12,17H,4,6,8-10H2,1-3H3/t11-,12+
InChIKeyBXUJBKAJQCAMDZ-TXEJJXNPSA-N
XLogP2.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389592
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389675
1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389828
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105390385
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390138
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388688
N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105389090
1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388790
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine (CID 105390520) is N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2C[C@@H](C)O[C@@H](C)C2)c1F.
What is the InChIKey of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is BXUJBKAJQCAMDZ-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-6-17-8-13-5-7-18-15(14(13)16)19-9-11(2)20-12(3)10-19/h5,7,11-12,17H,4,6,8-10H2,1-3H3/t11-,12+.
What are the key properties of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 281.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105390520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).