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

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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).