(S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine

C16H17FN2 — CID 167230191

IUPAC(S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine
SMILESN[C@H](c1ncccc1-c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C16H17FN2/c17-13-8-6-11(7-9-13)14-5-2-10-19-16(14)15(18)12-3-1-4-12/h2,5-10,12,15H,1,3-4,18H2/t15-/m0/s1
InChIKeyCHPFISACCCKKFD-HNNXBMFYSA-N
MW256.32 g/mol
LogP3.69
Rot. Bonds3

About (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine

(S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine (PubChem CID 167230191) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine
PubChem CID167230191
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name(S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine
SMILESN[C@H](c1ncccc1-c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C16H17FN2/c17-13-8-6-11(7-9-13)14-5-2-10-19-16(14)15(18)12-3-1-4-12/h2,5-10,12,15H,1,3-4,18H2/t15-/m0/s1
InChIKeyCHPFISACCCKKFD-HNNXBMFYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine?
The IUPAC name of (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine (CID 167230191) is (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine.
What is the SMILES notation for (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine?
The canonical SMILES for (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine is N[C@H](c1ncccc1-c1ccc(F)cc1)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine?
The InChIKey is CHPFISACCCKKFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-13-8-6-11(7-9-13)14-5-2-10-19-16(14)15(18)12-3-1-4-12/h2,5-10,12,15H,1,3-4,18H2/t15-/m0/s1.
What are the key properties of (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine?
(S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine has a molecular weight of 256.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 167230191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).