N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine

C13H16FN3 — CID 114254472

IUPACN-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cccc(C)c2F)cn1
InChIInChI=1S/C13H16FN3/c1-3-15-7-11-8-17(9-16-11)12-6-4-5-10(2)13(12)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyZBOQODUXZRMNIP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.43
Rot. Bonds4

About N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 114254472) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine
PubChem CID114254472
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cccc(C)c2F)cn1
InChIInChI=1S/C13H16FN3/c1-3-15-7-11-8-17(9-16-11)12-6-4-5-10(2)13(12)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyZBOQODUXZRMNIP-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine 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

N-[[1-(3-bromo-2-methylphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204569
1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone
CID 118600908
[1-(2-methylphenyl)imidazol-4-yl]methanol
CID 70502575
N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
CID 114203932
N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204311
N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
[1-(2-ethylphenyl)imidazol-4-yl]methanol
CID 99990399
N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 114203929
1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 165477311
[1-(2-fluorophenyl)imidazol-4-yl]methanamine
CID 82468834
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[1-(5-methyl-2-pyridinyl)imidazol-4-yl]methyl]propan-1-amine
CID 114203832

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine (CID 114254472) is N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2cccc(C)c2F)cn1.
What is the InChIKey of N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is ZBOQODUXZRMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-15-7-11-8-17(9-16-11)12-6-4-5-10(2)13(12)14/h4-6,8-9,15H,3,7H2,1-2H3.
What are the key properties of N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114254472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).