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

C13H15ClFN3 — CID 105395359

IUPACN-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1nccn1C
InChIInChI=1S/C13H15ClFN3/c1-3-16-12(13-17-6-7-18(13)2)10-8-9(15)4-5-11(10)14/h4-8,12,16H,3H2,1-2H3
InChIKeyMDBQHEUHLVIJCT-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.91
Rot. Bonds4

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

N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 105395359) 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-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID105395359
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1nccn1C
InChIInChI=1S/C13H15ClFN3/c1-3-16-12(13-17-6-7-18(13)2)10-8-9(15)4-5-11(10)14/h4-8,12,16H,3H2,1-2H3
InChIKeyMDBQHEUHLVIJCT-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-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82890952
N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 105395384
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 105395359) is N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1Cl)c1nccn1C.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is MDBQHEUHLVIJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-3-16-12(13-17-6-7-18(13)2)10-8-9(15)4-5-11(10)14/h4-8,12,16H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-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-2-yl)methyl]ethanamine is sourced from PubChem (CID 105395359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).