4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline

C14H15F4N3 — CID 62955979

IUPAC4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCCCn1ccnc1CNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F4N3/c1-2-6-21-7-5-19-13(21)9-20-10-3-4-12(15)11(8-10)14(16,17)18/h3-5,7-8,20H,2,6,9H2,1H3
InChIKeyLWVDOHBQSZTPOF-UHFFFAOYSA-N
MW301.29 g/mol
LogP4.06
Rot. Bonds5

About 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline

4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 62955979) has the molecular formula C14H15F4N3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID62955979
Molecular FormulaC14H15F4N3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCCCn1ccnc1CNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F4N3/c1-2-6-21-7-5-19-13(21)9-20-10-3-4-12(15)11(8-10)14(16,17)18/h3-5,7-8,20H,2,6,9H2,1H3
InChIKeyLWVDOHBQSZTPOF-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
CID 62955984
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106563760
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
CID 62357763
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275
4-fluoro-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 71906838
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
5-bromo-2,4-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 102852701

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline (CID 62955979) is 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline is CCCn1ccnc1CNc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is LWVDOHBQSZTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3/c1-2-6-21-7-5-19-13(21)9-20-10-3-4-12(15)11(8-10)14(16,17)18/h3-5,7-8,20H,2,6,9H2,1H3.
What are the key properties of 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline?
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 301.29 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 62955979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).