[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine

C13H12Cl2N2O — CID 62895551

IUPAC[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c14-10-4-11(15)6-12(5-10)18-8-9-2-1-3-17-13(9)7-16/h1-6H,7-8,16H2
InChIKeyJNXNMXFYBWVNTD-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.43
Rot. Bonds4

About [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine

[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 62895551) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID62895551
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c14-10-4-11(15)6-12(5-10)18-8-9-2-1-3-17-13(9)7-16/h1-6H,7-8,16H2
InChIKeyJNXNMXFYBWVNTD-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83231723
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729
[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83050664
3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 64600258
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
2-[(3,5-dichlorophenoxy)methyl]benzonitrile
CID 22688290

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine (CID 62895551) is [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine is NCc1ncccc1COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is JNXNMXFYBWVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-10-4-11(15)6-12(5-10)18-8-9-2-1-3-17-13(9)7-16/h1-6H,7-8,16H2.
What are the key properties of [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 283.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 62895551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).