N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine

C15H19F2N3 — CID 114930890

IUPACN-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nccn1Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2N3/c1-15(2,3)19-9-14-18-7-8-20(14)10-11-12(16)5-4-6-13(11)17/h4-8,19H,9-10H2,1-3H3
InChIKeyMNGISZDJIFQHMZ-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.10
Rot. Bonds4

About N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114930890) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID114930890
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nccn1Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2N3/c1-15(2,3)19-9-14-18-7-8-20(14)10-11-12(16)5-4-6-13(11)17/h4-8,19H,9-10H2,1-3H3
InChIKeyMNGISZDJIFQHMZ-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62223778
N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221302
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222891
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62223776
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 114930890) is N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nccn1Cc1c(F)cccc1F.
What is the InChIKey of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MNGISZDJIFQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-15(2,3)19-9-14-18-7-8-20(14)10-11-12(16)5-4-6-13(11)17/h4-8,19H,9-10H2,1-3H3.
What are the key properties of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114930890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).