N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride

C6H11ClFN3 — CID 70625954

IUPACN-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
SMILESCl.FCNCCc1cnc[nH]1
InChIInChI=1S/C6H10FN3.ClH/c7-4-8-2-1-6-3-9-5-10-6;/h3,5,8H,1-2,4H2,(H,9,10);1H
InChIKeyUWSYYAZYJUZACW-UHFFFAOYSA-N
MW179.63 g/mol
LogP0.89
Rot. Bonds4

About N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride

N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride (PubChem CID 70625954) has the molecular formula C6H11ClFN3 and a molecular weight of 179.63 g/mol. Its IUPAC name is N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
PubChem CID70625954
Molecular FormulaC6H11ClFN3
Molecular Weight179.63 g/mol
Exact Mass179.06
IUPAC NameN-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
SMILESCl.FCNCCc1cnc[nH]1
InChIInChI=1S/C6H10FN3.ClH/c7-4-8-2-1-6-3-9-5-10-6;/h3,5,8H,1-2,4H2,(H,9,10);1H
InChIKeyUWSYYAZYJUZACW-UHFFFAOYSA-N
XLogP0.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.63
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 64988409
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 68550195
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65231014
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride (CID 70625954) is N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride is Cl.FCNCCc1cnc[nH]1.
What is the InChIKey of N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride?
The InChIKey is UWSYYAZYJUZACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3.ClH/c7-4-8-2-1-6-3-9-5-10-6;/h3,5,8H,1-2,4H2,(H,9,10);1H.
What are the key properties of N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride?
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride has a molecular weight of 179.63 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 70625954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).