2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

C13H16FN3 — CID 55114310

IUPAC2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3/c1-10-16-9-13(17-10)8-15-7-6-11-2-4-12(14)5-3-11/h2-5,9,15H,6-8H2,1H3,(H,16,17)
InChIKeySZIQRTVMJGHVSZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 55114310) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID55114310
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3/c1-10-16-9-13(17-10)8-15-7-6-11-2-4-12(14)5-3-11/h2-5,9,15H,6-8H2,1H3,(H,16,17)
InChIKeySZIQRTVMJGHVSZ-UHFFFAOYSA-N
XLogP2.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 55114176
[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
CID 107230249
(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81348318
5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536124
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63983613
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine (CID 55114310) is 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is Cc1ncc(CNCCc2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is SZIQRTVMJGHVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10-16-9-13(17-10)8-15-7-6-11-2-4-12(14)5-3-11/h2-5,9,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 55114310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).