N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine

C13H16FN3 — CID 107456470

IUPACN-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(Cn2ccnc2)c1
InChIInChI=1S/C13H16FN3/c1-2-15-8-11-3-4-13(14)12(7-11)9-17-6-5-16-10-17/h3-7,10,15H,2,8-9H2,1H3
InChIKeyYLJNGTAMQNZLON-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.18
Rot. Bonds5

About N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 107456470) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
PubChem CID107456470
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(Cn2ccnc2)c1
InChIInChI=1S/C13H16FN3/c1-2-15-8-11-3-4-13(14)12(7-11)9-17-6-5-16-10-17/h3-7,10,15H,2,8-9H2,1H3
InChIKeyYLJNGTAMQNZLON-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292
1-[(2,5-difluorophenyl)methyl]-3-ethyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111903051
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-[(2,5-difluorophenyl)methyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111902398
2-[3-fluoro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
CID 171617123
1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 102772106
N-[[4-fluoro-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methyl]ethanamine
CID 107454554
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367
N-[[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457779
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine (CID 107456470) is N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(Cn2ccnc2)c1.
What is the InChIKey of N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is YLJNGTAMQNZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-15-8-11-3-4-13(14)12(7-11)9-17-6-5-16-10-17/h3-7,10,15H,2,8-9H2,1H3.
What are the key properties of N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107456470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).