2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine

C15H18ClN3 — CID 105157435

IUPAC2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cccnc1C
InChIInChI=1S/C15H18ClN3/c1-3-18-15(13-5-4-7-19-11(13)2)9-12-6-8-17-10-14(12)16/h4-8,10,15,18H,3,9H2,1-2H3
InChIKeyLJOGXJUYTNMIBK-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.33
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine

2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 105157435) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID105157435
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cccnc1C
InChIInChI=1S/C15H18ClN3/c1-3-18-15(13-5-4-7-19-11(13)2)9-12-6-8-17-10-14(12)16/h4-8,10,15,18H,3,9H2,1-2H3
InChIKeyLJOGXJUYTNMIBK-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105157384
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105135284
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723632
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105181736
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine (CID 105157435) is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine is CCNC(Cc1ccncc1Cl)c1cccnc1C.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is LJOGXJUYTNMIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-18-15(13-5-4-7-19-11(13)2)9-12-6-8-17-10-14(12)16/h4-8,10,15,18H,3,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105157435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).