1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine

C15H17ClN2O — CID 105133902

IUPAC1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1ccncc1Cl
InChIInChI=1S/C15H17ClN2O/c1-17-15(13-6-7-18-10-14(13)16)9-11-4-3-5-12(8-11)19-2/h3-8,10,15,17H,9H2,1-2H3
InChIKeyGSGZLXJITQDXJN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.25
Rot. Bonds5

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

1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 105133902) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID105133902
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1ccncc1Cl
InChIInChI=1S/C15H17ClN2O/c1-17-15(13-6-7-18-10-14(13)16)9-11-4-3-5-12(8-11)19-2/h3-8,10,15,17H,9H2,1-2H3
InChIKeyGSGZLXJITQDXJN-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-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035
2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
CID 63504239
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 79217018
[1-(2-chlorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205130
1-(4-methoxy-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 65313099
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 105133902) is 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is GSGZLXJITQDXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-17-15(13-6-7-18-10-14(13)16)9-11-4-3-5-12(8-11)19-2/h3-8,10,15,17H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine?
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine 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-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 105133902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).