(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine

C17H19FN2 — CID 95598748

IUPAC(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESFc1ccc([C@@H](NCc2ccncc2)C2CCC2)cc1
InChIInChI=1S/C17H19FN2/c18-16-6-4-15(5-7-16)17(14-2-1-3-14)20-12-13-8-10-19-11-9-13/h4-11,14,17,20H,1-3,12H2/t17-/m0/s1
InChIKeyQNOBOAKCPQYWBN-KRWDZBQOSA-N
MW270.35 g/mol
LogP3.85
Rot. Bonds5

About (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine

(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 95598748) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID95598748
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESFc1ccc([C@@H](NCc2ccncc2)C2CCC2)cc1
InChIInChI=1S/C17H19FN2/c18-16-6-4-15(5-7-16)17(14-2-1-3-14)20-12-13-8-10-19-11-9-13/h4-11,14,17,20H,1-3,12H2/t17-/m0/s1
InChIKeyQNOBOAKCPQYWBN-KRWDZBQOSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine (CID 95598748) is (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine is Fc1ccc([C@@H](NCc2ccncc2)C2CCC2)cc1.
What is the InChIKey of (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is QNOBOAKCPQYWBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19FN2/c18-16-6-4-15(5-7-16)17(14-2-1-3-14)20-12-13-8-10-19-11-9-13/h4-11,14,17,20H,1-3,12H2/t17-/m0/s1.
What are the key properties of (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine?
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 270.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 95598748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).