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

C14H18FN3 — CID 66132522

IUPAC5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cc(F)ccc1C
InChIInChI=1S/C14H18FN3/c1-3-6-18-10-16-8-13(18)9-17-14-7-12(15)5-4-11(14)2/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyXKNZLBUHQJMTIR-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.35
Rot. Bonds5

About 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline

5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66132522) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66132522
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cc(F)ccc1C
InChIInChI=1S/C14H18FN3/c1-3-6-18-10-16-8-13(18)9-17-14-7-12(15)5-4-11(14)2/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyXKNZLBUHQJMTIR-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

Analyze 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956
6-chloro-4-methyl-N-[(3-propylimidazol-4-yl)methyl]pyridin-3-amine
CID 114256350
8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
CID 66130149
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
2-methyl-4-nitro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132333
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66132522) is 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is XKNZLBUHQJMTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-6-18-10-16-8-13(18)9-17-14-7-12(15)5-4-11(14)2/h4-5,7-8,10,17H,3,6,9H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
5-fluoro-2-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 5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66132522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).