1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine

C16H16ClFN2O — CID 68780700

IUPAC1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(COc2cnc(F)c(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C16H16ClFN2O/c1-19-16(6-7-16)10-21-13-8-14(15(18)20-9-13)11-2-4-12(17)5-3-11/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyWTQPYDXDWXQVFJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.67
Rot. Bonds5

About 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine

1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine (PubChem CID 68780700) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
PubChem CID68780700
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
SMILESCNC1(COc2cnc(F)c(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C16H16ClFN2O/c1-19-16(6-7-16)10-21-13-8-14(15(18)20-9-13)11-2-4-12(17)5-3-11/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyWTQPYDXDWXQVFJ-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-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 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine (CID 68780700) is 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine is CNC1(COc2cnc(F)c(-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
The InChIKey is WTQPYDXDWXQVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-19-16(6-7-16)10-21-13-8-14(15(18)20-9-13)11-2-4-12(17)5-3-11/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine?
1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine has a molecular weight of 306.77 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 68780700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).