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

C14H18FN3 — CID 114871866

IUPAC1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-13(11-5-4-6-12(15)9-11)18-10(2)14-16-7-8-17-14/h4-10,13,18H,3H2,1-2H3,(H,16,17)
InChIKeyOZPUQRKWFQWJDF-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.35
Rot. Bonds5

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

1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 114871866) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID114871866
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-13(11-5-4-6-12(15)9-11)18-10(2)14-16-7-8-17-14/h4-10,13,18H,3H2,1-2H3,(H,16,17)
InChIKeyOZPUQRKWFQWJDF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(1H-imidazol-2-yl)methanol
CID 66771409
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871685
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
CID 57137516
CID 57137516
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine (CID 114871866) is 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine is CCC(NC(C)c1ncc[nH]1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is OZPUQRKWFQWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-13(11-5-4-6-12(15)9-11)18-10(2)14-16-7-8-17-14/h4-10,13,18H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine?
1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114871866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).