(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine

C13H13FN2 — CID 51693922

IUPAC(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN[C@H](c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C13H13FN2/c1-15-13(11-3-2-8-16-9-11)10-4-6-12(14)7-5-10/h2-9,13,15H,1H3/t13-/m1/s1
InChIKeyDABUWFPZDWZBCH-CYBMUJFWSA-N
MW216.26 g/mol
LogP2.53
Rot. Bonds3

About (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine

(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 51693922) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID51693922
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN[C@H](c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C13H13FN2/c1-15-13(11-3-2-8-16-9-11)10-4-6-12(14)7-5-10/h2-9,13,15H,1H3/t13-/m1/s1
InChIKeyDABUWFPZDWZBCH-CYBMUJFWSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine (CID 51693922) is (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine is CN[C@H](c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is DABUWFPZDWZBCH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13FN2/c1-15-13(11-3-2-8-16-9-11)10-4-6-12(14)7-5-10/h2-9,13,15H,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine?
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 216.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 51693922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).