2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine

C16H18ClFN2O — CID 82790001

IUPAC2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1cncc(OC)c1
InChIInChI=1S/C16H18ClFN2O/c1-3-20-15(12-7-13(21-2)10-19-9-12)8-11-5-4-6-14(17)16(11)18/h4-7,9-10,15,20H,3,8H2,1-2H3
InChIKeyMDIGZDQLQKAGKJ-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.78
Rot. Bonds6

About 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine

2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine (PubChem CID 82790001) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
PubChem CID82790001
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1cncc(OC)c1
InChIInChI=1S/C16H18ClFN2O/c1-3-20-15(12-7-13(21-2)10-19-9-12)8-11-5-4-6-14(17)16(11)18/h4-7,9-10,15,20H,3,8H2,1-2H3
InChIKeyMDIGZDQLQKAGKJ-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026123
[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105264388
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857803
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806395
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
[2-(3-chloro-2-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105264387
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine (CID 82790001) is 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine is CCNC(Cc1cccc(Cl)c1F)c1cncc(OC)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
The InChIKey is MDIGZDQLQKAGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-3-20-15(12-7-13(21-2)10-19-9-12)8-11-5-4-6-14(17)16(11)18/h4-7,9-10,15,20H,3,8H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine has a molecular weight of 308.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 82790001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).