[6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine

C24H26ClFN2O2 — CID 69149902

IUPAC[6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine
SMILESCCC(CC)Oc1cc(-c2ccc(F)cc2)c(-c2ccc(OC)cc2Cl)nc1CN
InChIInChI=1S/C24H26ClFN2O2/c1-4-17(5-2)30-23-13-20(15-6-8-16(26)9-7-15)24(28-22(23)14-27)19-11-10-18(29-3)12-21(19)25/h6-13,17H,4-5,14,27H2,1-3H3
InChIKeyFZIRODCEFKJRJR-UHFFFAOYSA-N
MW428.94 g/mol
LogP6.24
Rot. Bonds8

About [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine

[6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine (PubChem CID 69149902) has the molecular formula C24H26ClFN2O2 and a molecular weight of 428.94 g/mol. Its IUPAC name is [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine
PubChem CID69149902
Molecular FormulaC24H26ClFN2O2
Molecular Weight428.94 g/mol
Exact Mass428.17
IUPAC Name[6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine
SMILESCCC(CC)Oc1cc(-c2ccc(F)cc2)c(-c2ccc(OC)cc2Cl)nc1CN
InChIInChI=1S/C24H26ClFN2O2/c1-4-17(5-2)30-23-13-20(15-6-8-16(26)9-7-15)24(28-22(23)14-27)19-11-10-18(29-3)12-21(19)25/h6-13,17H,4-5,14,27H2,1-3H3
InChIKeyFZIRODCEFKJRJR-UHFFFAOYSA-N
XLogP6.24
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine?
The IUPAC name of [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine (CID 69149902) is [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine?
The canonical SMILES for [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine is CCC(CC)Oc1cc(-c2ccc(F)cc2)c(-c2ccc(OC)cc2Cl)nc1CN.
What is the InChIKey of [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine?
The InChIKey is FZIRODCEFKJRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O2/c1-4-17(5-2)30-23-13-20(15-6-8-16(26)9-7-15)24(28-22(23)14-27)19-11-10-18(29-3)12-21(19)25/h6-13,17H,4-5,14,27H2,1-3H3.
What are the key properties of [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine?
[6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine has a molecular weight of 428.94 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine is sourced from PubChem (CID 69149902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).