[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine

C13H12Cl2N2O — CID 63881091

IUPAC[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2cc(Cl)ccc2Cl)ccn1
InChIInChI=1S/C13H12Cl2N2O/c14-10-1-2-12(15)13(6-10)18-8-9-3-4-17-11(5-9)7-16/h1-6H,7-8,16H2
InChIKeyRNZBSAMNLZEDDG-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.43
Rot. Bonds4

About [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine

[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 63881091) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID63881091
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2cc(Cl)ccc2Cl)ccn1
InChIInChI=1S/C13H12Cl2N2O/c14-10-1-2-12(15)13(6-10)18-8-9-3-4-17-11(5-9)7-16/h1-6H,7-8,16H2
InChIKeyRNZBSAMNLZEDDG-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

[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
(4-chloro-2-pyridinyl)methanamine
CID 22727148
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
CID 78906184
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62452227
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
4-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbothioamide
CID 63880550
4-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 63883293
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine (CID 63881091) is [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine is NCc1cc(COc2cc(Cl)ccc2Cl)ccn1.
What is the InChIKey of [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is RNZBSAMNLZEDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-10-1-2-12(15)13(6-10)18-8-9-3-4-17-11(5-9)7-16/h1-6H,7-8,16H2.
What are the key properties of [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine?
[4-[(2,5-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 [4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63881091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).