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

C15H20FN3 — CID 114830855

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1ccccc1F)c1ncc[nH]1
InChIInChI=1S/C15H20FN3/c1-3-14(15-17-8-9-18-15)19-11(2)10-12-6-4-5-7-13(12)16/h4-9,11,14,19H,3,10H2,1-2H3,(H,17,18)
InChIKeyGVMAHHXSKXGFGP-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.22
Rot. Bonds6

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

N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine (PubChem CID 114830855) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine
PubChem CID114830855
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1ccccc1F)c1ncc[nH]1
InChIInChI=1S/C15H20FN3/c1-3-14(15-17-8-9-18-15)19-11(2)10-12-6-4-5-7-13(12)16/h4-9,11,14,19H,3,10H2,1-2H3,(H,17,18)
InChIKeyGVMAHHXSKXGFGP-UHFFFAOYSA-N
XLogP3.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methyl-2-phenyl-1H-imidazole
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2-Benzyl-1h-imidazole
CID 240539

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine (CID 114830855) is N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine is CCC(NC(C)Cc1ccccc1F)c1ncc[nH]1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine?
The InChIKey is GVMAHHXSKXGFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-14(15-17-8-9-18-15)19-11(2)10-12-6-4-5-7-13(12)16/h4-9,11,14,19H,3,10H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine?
N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114830855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).