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

C15H24FN3O2 — CID 103539513

IUPACN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CC(OC)C(OC)C2)c1F
InChIInChI=1S/C15H24FN3O2/c1-4-6-17-8-11-5-7-18-15(14(11)16)19-9-12(20-2)13(10-19)21-3/h5,7,12-13,17H,4,6,8-10H2,1-3H3
InChIKeyRXCKXFWYDOQNHQ-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.57
Rot. Bonds7

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

N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine (PubChem CID 103539513) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
PubChem CID103539513
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CC(OC)C(OC)C2)c1F
InChIInChI=1S/C15H24FN3O2/c1-4-6-17-8-11-5-7-18-15(14(11)16)19-9-12(20-2)13(10-19)21-3/h5,7,12-13,17H,4,6,8-10H2,1-3H3
InChIKeyRXCKXFWYDOQNHQ-UHFFFAOYSA-N
XLogP1.57
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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]propan-1-amine?
The IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine (CID 103539513) is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CC(OC)C(OC)C2)c1F.
What is the InChIKey of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is RXCKXFWYDOQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-4-6-17-8-11-5-7-18-15(14(11)16)19-9-12(20-2)13(10-19)21-3/h5,7,12-13,17H,4,6,8-10H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 297.37 g/mol, XLogP of 1.57, 7 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]propan-1-amine is sourced from PubChem (CID 103539513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).