1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine

C16H17FN2 — CID 171097149

IUPAC1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(C2CC2)c(F)n1
InChIInChI=1S/C16H17FN2/c1-18-15(12-5-3-2-4-6-12)14-10-9-13(11-7-8-11)16(17)19-14/h2-6,9-11,15,18H,7-8H2,1H3
InChIKeyGXWKKVVRRCOETI-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.41
Rot. Bonds4

About 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine

1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine (PubChem CID 171097149) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine
PubChem CID171097149
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(C2CC2)c(F)n1
InChIInChI=1S/C16H17FN2/c1-18-15(12-5-3-2-4-6-12)14-10-9-13(11-7-8-11)16(17)19-14/h2-6,9-11,15,18H,7-8H2,1H3
InChIKeyGXWKKVVRRCOETI-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine (CID 171097149) is 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1ccc(C2CC2)c(F)n1.
What is the InChIKey of 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine?
The InChIKey is GXWKKVVRRCOETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-18-15(12-5-3-2-4-6-12)14-10-9-13(11-7-8-11)16(17)19-14/h2-6,9-11,15,18H,7-8H2,1H3.
What are the key properties of 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine?
1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine has a molecular weight of 256.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 171097149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).