N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine

C14H22FN3O — CID 105389090

IUPACN-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCOCC2C)c1F
InChIInChI=1S/C14H22FN3O/c1-3-5-16-9-12-4-6-17-14(13(12)15)18-7-8-19-10-11(18)2/h4,6,11,16H,3,5,7-10H2,1-2H3
InChIKeyDEBVQFDCTHJHNI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.95
Rot. Bonds5

About N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105389090) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105389090
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCOCC2C)c1F
InChIInChI=1S/C14H22FN3O/c1-3-5-16-9-12-4-6-17-14(13(12)15)18-7-8-19-10-11(18)2/h4,6,11,16H,3,5,7-10H2,1-2H3
InChIKeyDEBVQFDCTHJHNI-UHFFFAOYSA-N
XLogP1.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.95
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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Related Compounds

N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105384909
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389418
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388688
N-[[2-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389592
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390520
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389675
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine (CID 105389090) is N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CCOCC2C)c1F.
What is the InChIKey of N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is DEBVQFDCTHJHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-5-16-9-12-4-6-17-14(13(12)15)18-7-8-19-10-11(18)2/h4,6,11,16H,3,5,7-10H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105389090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).