1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine

C13H13ClN2O — CID 55058551

IUPAC1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-15-9-10-6-7-16-13(8-10)17-12-5-3-2-4-11(12)14/h2-8,15H,9H2,1H3
InChIKeyDFTUXFKVVWANAS-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine

1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 55058551) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID55058551
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-15-9-10-6-7-16-13(8-10)17-12-5-3-2-4-11(12)14/h2-8,15H,9H2,1H3
InChIKeyDFTUXFKVVWANAS-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dichlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62297929
N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297828
[2-(2-chlorophenoxy)-4-pyridinyl]methanol
CID 61256084
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-methyl-1-(2-naphthalen-2-yloxy-4-pyridinyl)methanamine
CID 62322369
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62298106
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine (CID 55058551) is 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(Oc2ccccc2Cl)c1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is DFTUXFKVVWANAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-15-9-10-6-7-16-13(8-10)17-12-5-3-2-4-11(12)14/h2-8,15H,9H2,1H3.
What are the key properties of 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 248.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 55058551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).