N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine

C20H18ClFN2O2 — CID 42198775

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine
SMILESCOc1ccccc1Oc1ncccc1CNCc1c(F)cccc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-25-18-9-2-3-10-19(18)26-20-14(6-5-11-24-20)12-23-13-15-16(21)7-4-8-17(15)22/h2-11,23H,12-13H2,1H3
InChIKeyIGQOGCUIZZWANW-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.96
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine (PubChem CID 42198775) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine
PubChem CID42198775
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine
SMILESCOc1ccccc1Oc1ncccc1CNCc1c(F)cccc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-25-18-9-2-3-10-19(18)26-20-14(6-5-11-24-20)12-23-13-15-16(21)7-4-8-17(15)22/h2-11,23H,12-13H2,1H3
InChIKeyIGQOGCUIZZWANW-UHFFFAOYSA-N
XLogP4.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine (CID 42198775) is N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine is COc1ccccc1Oc1ncccc1CNCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine?
The InChIKey is IGQOGCUIZZWANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-25-18-9-2-3-10-19(18)26-20-14(6-5-11-24-20)12-23-13-15-16(21)7-4-8-17(15)22/h2-11,23H,12-13H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine has a molecular weight of 372.83 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-[2-(2-methoxyphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 42198775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).