2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine

C15H17ClN2O — CID 105085579

IUPAC2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccnc1OC
InChIInChI=1S/C15H17ClN2O/c1-17-14(10-11-5-7-12(16)8-6-11)13-4-3-9-18-15(13)19-2/h3-9,14,17H,10H2,1-2H3
InChIKeyRRHSJZJKRRHUDF-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine

2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine (PubChem CID 105085579) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
PubChem CID105085579
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccnc1OC
InChIInChI=1S/C15H17ClN2O/c1-17-14(10-11-5-7-12(16)8-6-11)13-4-3-9-18-15(13)19-2/h3-9,14,17H,10H2,1-2H3
InChIKeyRRHSJZJKRRHUDF-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

2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105151971
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105177427
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
CID 105031131
1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 105139852
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
2-(4-chlorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515341
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105137291
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine (CID 105085579) is 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1cccnc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The InChIKey is RRHSJZJKRRHUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-17-14(10-11-5-7-12(16)8-6-11)13-4-3-9-18-15(13)19-2/h3-9,14,17H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-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 2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105085579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).