1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

C16H18ClFN2 — CID 79748694

IUPAC1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C16H18ClFN2/c1-3-11-4-6-13(20-10-11)9-16(19-2)12-5-7-15(18)14(17)8-12/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeySJCUBWBLMKVYOV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.94
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 79748694) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID79748694
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C16H18ClFN2/c1-3-11-4-6-13(20-10-11)9-16(19-2)12-5-7-15(18)14(17)8-12/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeySJCUBWBLMKVYOV-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
[1-(3,4-dichlorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105257061
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014457
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014462
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (CID 79748694) is 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is SJCUBWBLMKVYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-11-4-6-13(20-10-11)9-16(19-2)12-5-7-15(18)14(17)8-12/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 292.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 79748694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).