N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine

C13H15ClFN3 — CID 107977844

IUPACN-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)cn1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-3-16-13(12-7-18(2)8-17-12)10-6-9(15)4-5-11(10)14/h4-8,13,16H,3H2,1-2H3
InChIKeyUOXHCFANUVSWJG-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 107977844) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
PubChem CID107977844
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)cn1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-3-16-13(12-7-18(2)8-17-12)10-6-9(15)4-5-11(10)14/h4-8,13,16H,3H2,1-2H3
InChIKeyUOXHCFANUVSWJG-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-4-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107975197
N-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974369
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 105395384
N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 105395319
N-[(4-chloro-2-fluorophenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107976854
N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107974876
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978064

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine (CID 107977844) is N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cn(C)cn1)c1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is UOXHCFANUVSWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-3-16-13(12-7-18(2)8-17-12)10-6-9(15)4-5-11(10)14/h4-8,13,16H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107977844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).