N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine

C13H15ClFN3 — CID 102856727

IUPACN-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-2-16-8-12-17-6-7-18(12)9-10-4-3-5-11(14)13(10)15/h3-7,16H,2,8-9H2,1H3
InChIKeyHWRUTSCEKDAVTM-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.83
Rot. Bonds5

About N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine

N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 102856727) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID102856727
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-2-16-8-12-17-6-7-18(12)9-10-4-3-5-11(14)13(10)15/h3-7,16H,2,8-9H2,1H3
InChIKeyHWRUTSCEKDAVTM-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine 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-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107307271
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[[1-[(2-chloro-6-nitrophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 63746341
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048807
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818521
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222511
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
1-(2-chloro-3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 112652047
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
CID 62223550

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine (CID 102856727) is N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1cccc(Cl)c1F.
What is the InChIKey of N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is HWRUTSCEKDAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-16-8-12-17-6-7-18(12)9-10-4-3-5-11(14)13(10)15/h3-7,16H,2,8-9H2,1H3.
What are the key properties of N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 102856727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).