3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline

C14H18FN3 — CID 79054956

IUPAC3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-4-18-10-16-8-14(18)9-17-13-6-11(2)5-12(15)7-13/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyRVXZOZMOWCBYRI-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.35
Rot. Bonds5

About 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline

3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 79054956) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID79054956
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-4-18-10-16-8-14(18)9-17-13-6-11(2)5-12(15)7-13/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyRVXZOZMOWCBYRI-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 79054956) is 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1cc(C)cc(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is RVXZOZMOWCBYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-4-18-10-16-8-14(18)9-17-13-6-11(2)5-12(15)7-13/h5-8,10,17H,3-4,9H2,1-2H3.
What are the key properties of 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 247.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 79054956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).