2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine

C16H19ClN2O2 — CID 115984879

IUPAC2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1cccc(OC)c1OC
InChIInChI=1S/C16H19ClN2O2/c1-18-14(9-11-7-8-19-10-13(11)17)12-5-4-6-15(20-2)16(12)21-3/h4-8,10,14,18H,9H2,1-3H3
InChIKeyARELMGRPPPQRRE-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.26
Rot. Bonds6

About 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine

2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine (PubChem CID 115984879) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
PubChem CID115984879
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1cccc(OC)c1OC
InChIInChI=1S/C16H19ClN2O2/c1-18-14(9-11-7-8-19-10-13(11)17)12-5-4-6-15(20-2)16(12)21-3/h4-8,10,14,18H,9H2,1-3H3
InChIKeyARELMGRPPPQRRE-UHFFFAOYSA-N
XLogP3.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105205014
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655591
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine (CID 115984879) is 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine is CNC(Cc1ccncc1Cl)c1cccc(OC)c1OC.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is ARELMGRPPPQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-18-14(9-11-7-8-19-10-13(11)17)12-5-4-6-15(20-2)16(12)21-3/h4-8,10,14,18H,9H2,1-3H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 306.79 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115984879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).