N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine

C14H22FN3O2 — CID 103539531

IUPACN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CC(OC)C(OC)C2)c1F
InChIInChI=1S/C14H22FN3O2/c1-4-16-7-10-5-6-17-14(13(10)15)18-8-11(19-2)12(9-18)20-3/h5-6,11-12,16H,4,7-9H2,1-3H3
InChIKeyFCBSOKYGKQZDPC-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.18
Rot. Bonds6

About N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine

N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine (PubChem CID 103539531) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
PubChem CID103539531
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CC(OC)C(OC)C2)c1F
InChIInChI=1S/C14H22FN3O2/c1-4-16-7-10-5-6-17-14(13(10)15)18-8-11(19-2)12(9-18)20-3/h5-6,11-12,16H,4,7-9H2,1-3H3
InChIKeyFCBSOKYGKQZDPC-UHFFFAOYSA-N
XLogP1.18
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine (CID 103539531) is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(N2CC(OC)C(OC)C2)c1F.
What is the InChIKey of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The InChIKey is FCBSOKYGKQZDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-4-16-7-10-5-6-17-14(13(10)15)18-8-11(19-2)12(9-18)20-3/h5-6,11-12,16H,4,7-9H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine has a molecular weight of 283.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 103539531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).