1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine

C15H17ClN2O2 — CID 114928698

IUPAC1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(COC)c2)ncc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-17-8-12-7-15(18-9-14(12)16)20-13-5-3-4-11(6-13)10-19-2/h3-7,9,17H,8,10H2,1-2H3
InChIKeyZZPDUBIZGVGKCY-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.39
Rot. Bonds6

About 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine (PubChem CID 114928698) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
PubChem CID114928698
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(COC)c2)ncc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-17-8-12-7-15(18-9-14(12)16)20-13-5-3-4-11(6-13)10-19-2/h3-7,9,17H,8,10H2,1-2H3
InChIKeyZZPDUBIZGVGKCY-UHFFFAOYSA-N
XLogP3.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[5-chloro-2-(3,5-dimethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114927908
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
CID 114916937
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928111
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine (CID 114928698) is 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine is CNCc1cc(Oc2cccc(COC)c2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine?
The InChIKey is ZZPDUBIZGVGKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-17-8-12-7-15(18-9-14(12)16)20-13-5-3-4-11(6-13)10-19-2/h3-7,9,17H,8,10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine has a molecular weight of 292.77 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114928698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).