1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine

C15H17ClN2O — CID 79697191

IUPAC1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H17ClN2O/c1-17-14(9-11-5-7-18-8-6-11)12-3-4-13(16)15(10-12)19-2/h3-8,10,14,17H,9H2,1-2H3
InChIKeyFEBMAGGPDUDKIQ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine

1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 79697191) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID79697191
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H17ClN2O/c1-17-14(9-11-5-7-18-8-6-11)12-3-4-13(16)15(10-12)19-2/h3-8,10,14,17H,9H2,1-2H3
InChIKeyFEBMAGGPDUDKIQ-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 81294947
1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 79700129
[1-(4-chloro-3-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105195152
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
[1-(4-chloro-3-methoxyphenyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211263
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
2-(4-chloro-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 107891735
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine (CID 79697191) is 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is FEBMAGGPDUDKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-17-14(9-11-5-7-18-8-6-11)12-3-4-13(16)15(10-12)19-2/h3-8,10,14,17H,9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine?
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 79697191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).