1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C18H22FN3 — CID 142725802

IUPAC1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C18H22FN3/c1-20-17(13-22-10-2-3-11-22)15-6-4-14(5-7-15)16-8-9-18(19)21-12-16/h4-9,12,17,20H,2-3,10-11,13H2,1H3
InChIKeyDLDDMQVNMLGGGA-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.24
Rot. Bonds5

About 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine

1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 142725802) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID142725802
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C18H22FN3/c1-20-17(13-22-10-2-3-11-22)15-6-4-14(5-7-15)16-8-9-18(19)21-12-16/h4-9,12,17,20H,2-3,10-11,13H2,1H3
InChIKeyDLDDMQVNMLGGGA-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 142725802) is 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine is CNC(CN1CCCC1)c1ccc(-c2ccc(F)nc2)cc1.
What is the InChIKey of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is DLDDMQVNMLGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c1-20-17(13-22-10-2-3-11-22)15-6-4-14(5-7-15)16-8-9-18(19)21-12-16/h4-9,12,17,20H,2-3,10-11,13H2,1H3.
What are the key properties of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 299.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 142725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).