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

C14H18FN3 — CID 114254514

IUPAC2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(C)c1F
InChIInChI=1S/C14H18FN3/c1-3-7-18-10-16-8-12(18)9-17-13-6-4-5-11(2)14(13)15/h4-6,8,10,17H,3,7,9H2,1-2H3
InChIKeyFQSQDMYTVZILHG-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.35
Rot. Bonds5

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

2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 114254514) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID114254514
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(C)c1F
InChIInChI=1S/C14H18FN3/c1-3-7-18-10-16-8-12(18)9-17-13-6-4-5-11(2)14(13)15/h4-6,8,10,17H,3,7,9H2,1-2H3
InChIKeyFQSQDMYTVZILHG-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 2-fluoro-3-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

5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66132713
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131145
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 114254514) is 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is FQSQDMYTVZILHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-7-18-10-16-8-12(18)9-17-13-6-4-5-11(2)14(13)15/h4-6,8,10,17H,3,7,9H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline?
2-fluoro-3-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 2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 114254514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).