N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine

C14H18FN3 — CID 55178056

IUPACN-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cc2cccc(F)c2)[nH]1
InChIInChI=1S/C14H18FN3/c1-10(2)16-8-13-9-17-14(18-13)7-11-4-3-5-12(15)6-11/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyGSTGGFNAXCLKJY-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.64
Rot. Bonds5

About N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 55178056) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID55178056
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cc2cccc(F)c2)[nH]1
InChIInChI=1S/C14H18FN3/c1-10(2)16-8-13-9-17-14(18-13)7-11-4-3-5-12(15)6-11/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyGSTGGFNAXCLKJY-UHFFFAOYSA-N
XLogP2.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine (CID 55178056) is N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(Cc2cccc(F)c2)[nH]1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is GSTGGFNAXCLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(2)16-8-13-9-17-14(18-13)7-11-4-3-5-12(15)6-11/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55178056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).