1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine

C14H17F2N3 — CID 102969676

IUPAC1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1Cc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3/c1-9(2)14(17)13-6-18-8-19(13)7-10-3-4-11(15)5-12(10)16/h3-6,8-9,14H,7,17H2,1-2H3
InChIKeySJSWMCNYXYDYBN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine

1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969676) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969676
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1Cc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3/c1-9(2)14(17)13-6-18-8-19(13)7-10-3-4-11(15)5-12(10)16/h3-6,8-9,14H,7,17H2,1-2H3
InChIKeySJSWMCNYXYDYBN-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine (CID 102969676) is 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine is CC(C)C(N)c1cncn1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is SJSWMCNYXYDYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(2)14(17)13-6-18-8-19(13)7-10-3-4-11(15)5-12(10)16/h3-6,8-9,14H,7,17H2,1-2H3.
What are the key properties of 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).