[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine

C13H12ClFN2O — CID 83050664

IUPAC[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-10-4-1-5-11(15)13(10)18-8-9-3-2-6-17-12(9)7-16/h1-6H,7-8,16H2
InChIKeyZUEJOVJRUCJPIX-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.91
Rot. Bonds4

About [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine

[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 83050664) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID83050664
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-10-4-1-5-11(15)13(10)18-8-9-3-2-6-17-12(9)7-16/h1-6H,7-8,16H2
InChIKeyZUEJOVJRUCJPIX-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895551
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83231723
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine (CID 83050664) is [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine is NCc1ncccc1COc1c(F)cccc1Cl.
What is the InChIKey of [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is ZUEJOVJRUCJPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-10-4-1-5-11(15)13(10)18-8-9-3-2-6-17-12(9)7-16/h1-6H,7-8,16H2.
What are the key properties of [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 266.70 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 83050664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).