2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine

C13H16FN3 — CID 82557914

IUPAC2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
SMILESCNCCn1ccnc1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-15-6-8-17-9-7-16-13(17)10-11-2-4-12(14)5-3-11/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyQCVAESBQXMSSAA-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.83
Rot. Bonds5

About 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine

2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine (PubChem CID 82557914) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
PubChem CID82557914
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
SMILESCNCCn1ccnc1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-15-6-8-17-9-7-16-13(17)10-11-2-4-12(14)5-3-11/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyQCVAESBQXMSSAA-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558552
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558534
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948
4-[(1-butylimidazol-2-yl)methyl]aniline
CID 70226116
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine (CID 82557914) is 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine is CNCCn1ccnc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine?
The InChIKey is QCVAESBQXMSSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-15-6-8-17-9-7-16-13(17)10-11-2-4-12(14)5-3-11/h2-5,7,9,15H,6,8,10H2,1H3.
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine?
2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine has a molecular weight of 233.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 82557914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).