2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine

C13H15ClFN3 — CID 82304935

IUPAC2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(CCN)cn1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-9-17-10(5-6-16)7-18(9)8-11-12(14)3-2-4-13(11)15/h2-4,7H,5-6,8,16H2,1H3
InChIKeyVLXJJUKCXHZAKA-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine

2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine (PubChem CID 82304935) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
PubChem CID82304935
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(CCN)cn1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-9-17-10(5-6-16)7-18(9)8-11-12(14)3-2-4-13(11)15/h2-4,7H,5-6,8,16H2,1H3
InChIKeyVLXJJUKCXHZAKA-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylimidazol-3-ium iodide
CID 167683507
3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
CID 170868083
2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
CID 95483003
(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265955
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697868
4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole
CID 62399901
[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
CID 24764792
1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole
CID 2766537
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
6-chloro-3-[(2-chloro-6-fluorophenyl)methyl]-5-iodopyrimidin-4-one
CID 114584062
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 17349598
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine (CID 82304935) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine is Cc1nc(CCN)cn1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The InChIKey is VLXJJUKCXHZAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-9-17-10(5-6-16)7-18(9)8-11-12(14)3-2-4-13(11)15/h2-4,7H,5-6,8,16H2,1H3.
What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 82304935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).