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

C14H15ClN2O — CID 114928186

IUPAC1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(C)c2)ncc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-4-3-5-12(6-10)18-14-7-11(8-16-2)13(15)9-17-14/h3-7,9,16H,8H2,1-2H3
InChIKeyNRRPQHWJJHIXKM-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.56
Rot. Bonds4

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

1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114928186) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID114928186
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(C)c2)ncc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-4-3-5-12(6-10)18-14-7-11(8-16-2)13(15)9-17-14/h3-7,9,16H,8H2,1-2H3
InChIKeyNRRPQHWJJHIXKM-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 114928698
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
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
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928111
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 114928186) is 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1cc(Oc2cccc(C)c2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is NRRPQHWJJHIXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-4-3-5-12(6-10)18-14-7-11(8-16-2)13(15)9-17-14/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 262.74 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114928186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).