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

C16H18ClFN2 — CID 82806395

IUPAC2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1cnccc1C
InChIInChI=1S/C16H18ClFN2/c1-3-20-15(13-10-19-8-7-11(13)2)9-12-5-4-6-14(17)16(12)18/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyHDOUVKJUGIWBIQ-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.08
Rot. Bonds5

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

2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 82806395) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID82806395
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1cnccc1C
InChIInChI=1S/C16H18ClFN2/c1-3-20-15(13-10-19-8-7-11(13)2)9-12-5-4-6-14(17)16(12)18/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyHDOUVKJUGIWBIQ-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878334
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806137
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 82790001
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine (CID 82806395) is 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine is CCNC(Cc1cccc(Cl)c1F)c1cnccc1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is HDOUVKJUGIWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-20-15(13-10-19-8-7-11(13)2)9-12-5-4-6-14(17)16(12)18/h4-8,10,15,20H,3,9H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 292.79 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 82806395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).