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

C13H16FN3 — CID 62748309

IUPAC2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1[nH]cnc1CNCCc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-10-13(17-9-16-10)8-15-7-6-11-4-2-3-5-12(11)14/h2-5,9,15H,6-8H2,1H3,(H,16,17)
InChIKeyKOXMWCBGOWYZOA-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.19
Rot. Bonds5

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

2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (PubChem CID 62748309) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
PubChem CID62748309
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1[nH]cnc1CNCCc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-10-13(17-9-16-10)8-15-7-6-11-4-2-3-5-12(11)14/h2-5,9,15H,6-8H2,1H3,(H,16,17)
InChIKeyKOXMWCBGOWYZOA-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-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 79604325
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104274
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43552162
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 62748511
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124808324
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (CID 62748309) is 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is Cc1[nH]cnc1CNCCc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The InChIKey is KOXMWCBGOWYZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10-13(17-9-16-10)8-15-7-6-11-4-2-3-5-12(11)14/h2-5,9,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-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-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62748309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).