3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine

C20H21FN2O2 — CID 131894709

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCOc1ncccc1CNCCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C20H21FN2O2/c1-24-20-16(4-2-11-23-20)14-22-12-10-18(19-5-3-13-25-19)15-6-8-17(21)9-7-15/h2-9,11,13,18,22H,10,12,14H2,1H3
InChIKeyHAAAXOFOMWLNTG-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.13
Rot. Bonds8

About 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine

3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 131894709) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID131894709
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCOc1ncccc1CNCCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C20H21FN2O2/c1-24-20-16(4-2-11-23-20)14-22-12-10-18(19-5-3-13-25-19)15-6-8-17(21)9-7-15/h2-9,11,13,18,22H,10,12,14H2,1H3
InChIKeyHAAAXOFOMWLNTG-UHFFFAOYSA-N
XLogP4.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 131894709) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is COc1ncccc1CNCCC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HAAAXOFOMWLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-24-20-16(4-2-11-23-20)14-22-12-10-18(19-5-3-13-25-19)15-6-8-17(21)9-7-15/h2-9,11,13,18,22H,10,12,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 340.40 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 131894709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).