2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline

C13H14BrF2N3 — CID 55153464

IUPAC2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H14BrF2N3/c1-2-4-19-5-3-17-12(19)8-18-13-10(14)6-9(15)7-11(13)16/h3,5-7,18H,2,4,8H2,1H3
InChIKeyWTJSHAOIPKTOMG-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.95
Rot. Bonds5

About 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline

2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline (PubChem CID 55153464) has the molecular formula C13H14BrF2N3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
PubChem CID55153464
Molecular FormulaC13H14BrF2N3
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H14BrF2N3/c1-2-4-19-5-3-17-12(19)8-18-13-10(14)6-9(15)7-11(13)16/h3,5-7,18H,2,4,8H2,1H3
InChIKeyWTJSHAOIPKTOMG-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-6-nitro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 81305601
5-bromo-2,4-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 102852701
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
2-fluoro-6-nitro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 81310091
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
CID 62955984
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline (CID 55153464) is 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline is CCCn1ccnc1CNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline?
The InChIKey is WTJSHAOIPKTOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3/c1-2-4-19-5-3-17-12(19)8-18-13-10(14)6-9(15)7-11(13)16/h3,5-7,18H,2,4,8H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline?
2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline has a molecular weight of 330.18 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 55153464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).