1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

C14H17ClFN3 — CID 79752703

IUPAC1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3/c1-3-19-7-6-18-14(19)9-13(17-2)11-5-4-10(15)8-12(11)16/h4-8,13,17H,3,9H2,1-2H3
InChIKeyAIXPGAIAXGEJCI-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (PubChem CID 79752703) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
PubChem CID79752703
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3/c1-3-19-7-6-18-14(19)9-13(17-2)11-5-4-10(15)8-12(11)16/h4-8,13,17H,3,9H2,1-2H3
InChIKeyAIXPGAIAXGEJCI-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009539
1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81301344
[2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105257015
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
2-(1-ethylimidazol-2-yl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105009546
1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009485
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (CID 79752703) is 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is CCn1ccnc1CC(NC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The InChIKey is AIXPGAIAXGEJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-3-19-7-6-18-14(19)9-13(17-2)11-5-4-10(15)8-12(11)16/h4-8,13,17H,3,9H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 79752703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).