1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine

C16H18Cl2N2O — CID 115984974

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H18Cl2N2O/c1-3-20-15(8-11-6-7-19-10-14(11)18)13-9-12(17)4-5-16(13)21-2/h4-7,9-10,15,20H,3,8H2,1-2H3
InChIKeyKIWMTZPKGLVMQW-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.29
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine

1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine (PubChem CID 115984974) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
PubChem CID115984974
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H18Cl2N2O/c1-3-20-15(8-11-6-7-19-10-14(11)18)13-9-12(17)4-5-16(13)21-2/h4-7,9-10,15,20H,3,8H2,1-2H3
InChIKeyKIWMTZPKGLVMQW-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984917
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 103052808
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
1-(5-chloro-2-methoxyphenyl)-N,3-diethylpentan-1-amine
CID 105028250
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine (CID 115984974) is 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine is CCNC(Cc1ccncc1Cl)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The InChIKey is KIWMTZPKGLVMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-3-20-15(8-11-6-7-19-10-14(11)18)13-9-12(17)4-5-16(13)21-2/h4-7,9-10,15,20H,3,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine has a molecular weight of 325.24 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 115984974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).