1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine

C16H18ClFN2O — CID 105395281

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(OC)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H18ClFN2O/c1-3-19-15(13-9-12(18)5-6-14(13)17)8-11-4-7-16(21-2)20-10-11/h4-7,9-10,15,19H,3,8H2,1-2H3
InChIKeyOOHORYZMDAWTSU-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.78
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine (PubChem CID 105395281) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
PubChem CID105395281
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(OC)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H18ClFN2O/c1-3-19-15(13-9-12(18)5-6-14(13)17)8-11-4-7-16(21-2)20-10-11/h4-7,9-10,15,19H,3,8H2,1-2H3
InChIKeyOOHORYZMDAWTSU-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

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114658220
[1-(4-fluoro-2-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105250492
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106762794
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine (CID 105395281) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine is CCNC(Cc1ccc(OC)nc1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine?
The InChIKey is OOHORYZMDAWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-3-19-15(13-9-12(18)5-6-14(13)17)8-11-4-7-16(21-2)20-10-11/h4-7,9-10,15,19H,3,8H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-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 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105395281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).