[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine

C12H18FN3O2 — CID 103539495

IUPAC[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESCOC1CN(c2nccc(CN)c2F)CC1OC
InChIInChI=1S/C12H18FN3O2/c1-17-9-6-16(7-10(9)18-2)12-11(13)8(5-14)3-4-15-12/h3-4,9-10H,5-7,14H2,1-2H3
InChIKeyRFYHAEBQBADLQB-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.53
Rot. Bonds4

About [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine

[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine (PubChem CID 103539495) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
PubChem CID103539495
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESCOC1CN(c2nccc(CN)c2F)CC1OC
InChIInChI=1S/C12H18FN3O2/c1-17-9-6-16(7-10(9)18-2)12-11(13)8(5-14)3-4-15-12/h3-4,9-10H,5-7,14H2,1-2H3
InChIKeyRFYHAEBQBADLQB-UHFFFAOYSA-N
XLogP0.53
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine (CID 103539495) is [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine is COC1CN(c2nccc(CN)c2F)CC1OC.
What is the InChIKey of [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is RFYHAEBQBADLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-17-9-6-16(7-10(9)18-2)12-11(13)8(5-14)3-4-15-12/h3-4,9-10H,5-7,14H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 255.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 103539495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).