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

C14H18FN3 — CID 79737938

IUPACN-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2nccn2C)cc1F
InChIInChI=1S/C14H18FN3/c1-3-16-10-12-5-4-11(8-13(12)15)9-14-17-6-7-18(14)2/h4-8,16H,3,9-10H2,1-2H3
InChIKeyYHOCIOBOJSODCN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.26
Rot. Bonds5

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

N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 79737938) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
PubChem CID79737938
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2nccn2C)cc1F
InChIInChI=1S/C14H18FN3/c1-3-16-10-12-5-4-11(8-13(12)15)9-14-17-6-7-18(14)2/h4-8,16H,3,9-10H2,1-2H3
InChIKeyYHOCIOBOJSODCN-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63976634
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
CID 113447026
N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
CID 113263576
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
CID 79737643
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
N-[[3-bromo-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 102770892
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
tert-butyl N-[[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxymethyl]phenyl]methyl]carbamate
CID 163390536
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine (CID 79737938) is N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(Cc2nccn2C)cc1F.
What is the InChIKey of N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is YHOCIOBOJSODCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-16-10-12-5-4-11(8-13(12)15)9-14-17-6-7-18(14)2/h4-8,16H,3,9-10H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.26, 5 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)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 79737938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).