(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine

C14H18FN3 — CID 104942473

IUPAC(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-13(16)14-8-17-9-18(14)10(2)11-4-6-12(15)7-5-11/h4-10,13H,3,16H2,1-2H3/t10?,13-/m1/s1
InChIKeyQLWMVDPCWXIKCP-JLOHTSLTSA-N
MW247.32 g/mol
LogP3.04
Rot. Bonds4

About (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine (PubChem CID 104942473) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
PubChem CID104942473
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-13(16)14-8-17-9-18(14)10(2)11-4-6-12(15)7-5-11/h4-10,13H,3,16H2,1-2H3/t10?,13-/m1/s1
InChIKeyQLWMVDPCWXIKCP-JLOHTSLTSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine (CID 104942473) is (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C(C)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine?
The InChIKey is QLWMVDPCWXIKCP-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-13(16)14-8-17-9-18(14)10(2)11-4-6-12(15)7-5-11/h4-10,13H,3,16H2,1-2H3/t10?,13-/m1/s1.
What are the key properties of (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).