[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine

C14H18FN3 — CID 107113824

IUPAC[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCC(C)c1nccn1Cc1cccc(CN)c1F
InChIInChI=1S/C14H18FN3/c1-10(2)14-17-6-7-18(14)9-12-5-3-4-11(8-16)13(12)15/h3-7,10H,8-9,16H2,1-2H3
InChIKeySYZOVBIJOINJEL-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.65
Rot. Bonds4

About [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine

[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 107113824) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID107113824
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCC(C)c1nccn1Cc1cccc(CN)c1F
InChIInChI=1S/C14H18FN3/c1-10(2)14-17-6-7-18(14)9-12-5-3-4-11(8-16)13(12)15/h3-7,10H,8-9,16H2,1-2H3
InChIKeySYZOVBIJOINJEL-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine (CID 107113824) is [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine is CC(C)c1nccn1Cc1cccc(CN)c1F.
What is the InChIKey of [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is SYZOVBIJOINJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(2)14-17-6-7-18(14)9-12-5-3-4-11(8-16)13(12)15/h3-7,10H,8-9,16H2,1-2H3.
What are the key properties of [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 247.32 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 [2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 107113824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).