2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine

C14H14Cl2N2O — CID 105065635

IUPAC2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCOc1cnccc1C(N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-19-14-8-18-5-4-11(14)13(17)7-9-6-10(15)2-3-12(9)16/h2-6,8,13H,7,17H2,1H3
InChIKeyGTNRNEUTNVLRHW-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.64
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine

2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine (PubChem CID 105065635) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
PubChem CID105065635
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCOc1cnccc1C(N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-19-14-8-18-5-4-11(14)13(17)7-9-6-10(15)2-3-12(9)16/h2-6,8,13H,7,17H2,1H3
InChIKeyGTNRNEUTNVLRHW-UHFFFAOYSA-N
XLogP3.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065429
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
CID 102923378
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
2-(2,5-dichlorophenyl)-1-pyrazin-2-ylethanamine
CID 65321517
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 103052808
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine (CID 105065635) is 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine is COc1cnccc1C(N)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The InChIKey is GTNRNEUTNVLRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-19-14-8-18-5-4-11(14)13(17)7-9-6-10(15)2-3-12(9)16/h2-6,8,13H,7,17H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine?
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine has a molecular weight of 297.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine is sourced from PubChem (CID 105065635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).