2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline

C12H15FN4 — CID 22280758

IUPAC2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline
SMILESCN(C)Cc1nccn1-c1cc(F)ccc1N
InChIInChI=1S/C12H15FN4/c1-16(2)8-12-15-5-6-17(12)11-7-9(13)3-4-10(11)14/h3-7H,8,14H2,1-2H3
InChIKeyUKRHVMKCXOXPLN-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline

2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline (PubChem CID 22280758) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline
PubChem CID22280758
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline
SMILESCN(C)Cc1nccn1-c1cc(F)ccc1N
InChIInChI=1S/C12H15FN4/c1-16(2)8-12-15-5-6-17(12)11-7-9(13)3-4-10(11)14/h3-7H,8,14H2,1-2H3
InChIKeyUKRHVMKCXOXPLN-UHFFFAOYSA-N
XLogP1.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline?
The IUPAC name of 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline (CID 22280758) is 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline is CN(C)Cc1nccn1-c1cc(F)ccc1N.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline?
The InChIKey is UKRHVMKCXOXPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-16(2)8-12-15-5-6-17(12)11-7-9(13)3-4-10(11)14/h3-7H,8,14H2,1-2H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline?
2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline has a molecular weight of 234.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]imidazol-1-yl]-4-fluoroaniline is sourced from PubChem (CID 22280758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).