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

C14H17F2N3 — CID 106719254

IUPACN-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2c(F)cccc2F)cn1
InChIInChI=1S/C14H17F2N3/c1-2-6-17-7-11-8-19(10-18-11)9-12-13(15)4-3-5-14(12)16/h3-5,8,10,17H,2,6-7,9H2,1H3
InChIKeyGJUSUFADYVZVSR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.71
Rot. Bonds6

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

N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719254) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719254
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2c(F)cccc2F)cn1
InChIInChI=1S/C14H17F2N3/c1-2-6-17-7-11-8-19(10-18-11)9-12-13(15)4-3-5-14(12)16/h3-5,8,10,17H,2,6-7,9H2,1H3
InChIKeyGJUSUFADYVZVSR-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985027
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718946
3-[[4-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 106719183
N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719107
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
N-[[1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204643
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719181
N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719161
N-[[1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204176
N-[[1-[(4-chloro-2-nitrophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719100

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 106719254) is N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2c(F)cccc2F)cn1.
What is the InChIKey of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GJUSUFADYVZVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-2-6-17-7-11-8-19(10-18-11)9-12-13(15)4-3-5-14(12)16/h3-5,8,10,17H,2,6-7,9H2,1H3.
What are the key properties of N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.71, 6 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-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).