N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine

C13H15F2N3 — CID 62223730

IUPACN-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cccc(F)c1F
InChIInChI=1S/C13H15F2N3/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
InChIKeyRRQCDSCOZZPDHP-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.32
Rot. Bonds5

About N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine

N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 62223730) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID62223730
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cccc(F)c1F
InChIInChI=1S/C13H15F2N3/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
InChIKeyRRQCDSCOZZPDHP-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 62408867
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
1-(2-chloro-3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 112652047
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 42818517
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114930890
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115953317
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine (CID 62223730) is N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1cccc(F)c1F.
What is the InChIKey of N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is RRQCDSCOZZPDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/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-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62223730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).