2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine

C14H17ClFN3 — CID 107974369

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1cn(C)cn1
InChIInChI=1S/C14H17ClFN3/c1-3-17-13(14-8-19(2)9-18-14)6-10-4-5-11(16)7-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeyQFUODEGVLDSKAD-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107974369) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107974369
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1cn(C)cn1
InChIInChI=1S/C14H17ClFN3/c1-3-17-13(14-8-19(2)9-18-14)6-10-4-5-11(16)7-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3
InChIKeyQFUODEGVLDSKAD-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 63033873
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 63949608
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975481
N-[2-(2-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107977183

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine (CID 107974369) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine is CCNC(Cc1ccc(F)cc1Cl)c1cn(C)cn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is QFUODEGVLDSKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-3-17-13(14-8-19(2)9-18-14)6-10-4-5-11(16)7-12(10)15/h4-5,7-9,13,17H,3,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107974369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).