2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine

C18H22ClFN2O — CID 144796023

IUPAC2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine
SMILESCCC(C)C(CN)c1ccc(OC)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H22ClFN2O/c1-4-11(2)13(10-21)16-7-8-17(23-3)18(22-16)12-5-6-15(20)14(19)9-12/h5-9,11,13H,4,10,21H2,1-3H3
InChIKeyJGXNTOVZBVTGHR-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.64
Rot. Bonds6

About 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine

2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine (PubChem CID 144796023) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine
PubChem CID144796023
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine
SMILESCCC(C)C(CN)c1ccc(OC)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H22ClFN2O/c1-4-11(2)13(10-21)16-7-8-17(23-3)18(22-16)12-5-6-15(20)14(19)9-12/h5-9,11,13H,4,10,21H2,1-3H3
InChIKeyJGXNTOVZBVTGHR-UHFFFAOYSA-N
XLogP4.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10155760, Example 238
CID 118419882
US10155760, Example 147
CID 118429884
US10155760, Example 158
CID 118420068
US10155760, Example 143
CID 129279925
2-(3-chlorophenyl)-3-(111C)methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168269904
US10155760, Example 169
CID 118420060
US10155760, Example 154
CID 118429734
US10155760, Example 156
CID 118429797
US10155760, Example 159
CID 118429824
US10155760, Example 168
CID 118429831
US10155760, Example 142
CID 118429968
2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-5H-pyrido[3,2-d][1]benzazepine
CID 44425660

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine?
The IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine (CID 144796023) is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine.
What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine?
The canonical SMILES for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine is CCC(C)C(CN)c1ccc(OC)c(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine?
The InChIKey is JGXNTOVZBVTGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O/c1-4-11(2)13(10-21)16-7-8-17(23-3)18(22-16)12-5-6-15(20)14(19)9-12/h5-9,11,13H,4,10,21H2,1-3H3.
What are the key properties of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine?
2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine has a molecular weight of 336.84 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-methylpentan-1-amine is sourced from PubChem (CID 144796023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).