N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine

C13H16FN3 — CID 63976634

IUPACN-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2nccn2C)cc1F
InChIInChI=1S/C13H16FN3/c1-3-15-9-11-5-4-10(8-12(11)14)13-16-6-7-17(13)2/h4-8,15H,3,9H2,1-2H3
InChIKeyIUKUGSXEJFJOGT-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.34
Rot. Bonds4

About N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine

N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine (PubChem CID 63976634) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
PubChem CID63976634
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2nccn2C)cc1F
InChIInChI=1S/C13H16FN3/c1-3-15-9-11-5-4-10(8-12(11)14)13-16-6-7-17(13)2/h4-8,15H,3,9H2,1-2H3
InChIKeyIUKUGSXEJFJOGT-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79737938
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine (CID 63976634) is N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2nccn2C)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine?
The InChIKey is IUKUGSXEJFJOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-15-9-11-5-4-10(8-12(11)14)13-16-6-7-17(13)2/h4-8,15H,3,9H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63976634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).