2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine

C12H13F2N3 — CID 63975383

IUPAC2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3/c1-17-3-2-16-12(17)11(15)6-8-4-9(13)7-10(14)5-8/h2-5,7,11H,6,15H2,1H3
InChIKeyVNWIKJNLNFZBEF-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.94
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine

2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 63975383) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID63975383
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3/c1-17-3-2-16-12(17)11(15)6-8-4-9(13)7-10(14)5-8/h2-5,7,11H,6,15H2,1H3
InChIKeyVNWIKJNLNFZBEF-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050560
2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 113453816
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
[2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105198301
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
CID 165494326
2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63977023

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine (CID 63975383) is 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1C(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is VNWIKJNLNFZBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-17-3-2-16-12(17)11(15)6-8-4-9(13)7-10(14)5-8/h2-5,7,11H,6,15H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine?
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 63975383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).