N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine

C13H15F2N3 — CID 114203929

IUPACN-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2c(F)cccc2F)cn1
InChIInChI=1S/C13H15F2N3/c1-9(2)16-6-10-7-18(8-17-10)13-11(14)4-3-5-12(13)15/h3-5,7-9,16H,6H2,1-2H3
InChIKeyPAGBYKDMJHHOHC-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.65
Rot. Bonds4

About N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine

N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 114203929) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID114203929
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2c(F)cccc2F)cn1
InChIInChI=1S/C13H15F2N3/c1-9(2)16-6-10-7-18(8-17-10)13-11(14)4-3-5-12(13)15/h3-5,7-9,16H,6H2,1-2H3
InChIKeyPAGBYKDMJHHOHC-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole
CID 130482631
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 114934975
N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719465
N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine
CID 70043389
N-[[3-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 114069077
N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]propan-2-amine
CID 82529653
N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63037162
N-[[1-[(2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114934386
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine (CID 114203929) is N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(-c2c(F)cccc2F)cn1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is PAGBYKDMJHHOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9(2)16-6-10-7-18(8-17-10)13-11(14)4-3-5-12(13)15/h3-5,7-9,16H,6H2,1-2H3.
What are the key properties of N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 251.28 g/mol, XLogP of 2.65, 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)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114203929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).