1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine

C14H14Cl2N2O — CID 112655454

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1ccncc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-19-14-7-10(15)2-3-11(14)13(17)6-9-4-5-18-8-12(9)16/h2-5,7-8,13H,6,17H2,1H3
InChIKeyGMKIRTNSWVDYJK-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine

1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 112655454) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
PubChem CID112655454
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1ccncc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-19-14-7-10(15)2-3-11(14)13(17)6-9-4-5-18-8-12(9)16/h2-5,7-8,13H,6,17H2,1H3
InChIKeyGMKIRTNSWVDYJK-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

Analyze 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine with MolForge

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107309207
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine (CID 112655454) is 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine is COc1cc(Cl)ccc1C(N)Cc1ccncc1Cl.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is GMKIRTNSWVDYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-19-14-7-10(15)2-3-11(14)13(17)6-9-4-5-18-8-12(9)16/h2-5,7-8,13H,6,17H2,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine?
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-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 1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 112655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).