3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine

C14H20FN3O — CID 82246799

IUPAC3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(F)c1C1=NCCN1
InChIInChI=1S/C14H20FN3O/c1-18(2)9-4-10-19-12-6-3-5-11(15)13(12)14-16-7-8-17-14/h3,5-6H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyGBVWARFDGKOZGX-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.51
Rot. Bonds6

About 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine

3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 82246799) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
PubChem CID82246799
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(F)c1C1=NCCN1
InChIInChI=1S/C14H20FN3O/c1-18(2)9-4-10-19-12-6-3-5-11(15)13(12)14-16-7-8-17-14/h3,5-6H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyGBVWARFDGKOZGX-UHFFFAOYSA-N
XLogP1.51
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895
N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 82248809
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 131884841
2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
CID 82249804
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671
2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240421
5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737104
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
CID 78938210
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine (CID 82246799) is 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cccc(F)c1C1=NCCN1.
What is the InChIKey of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is GBVWARFDGKOZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(2)9-4-10-19-12-6-3-5-11(15)13(12)14-16-7-8-17-14/h3,5-6H,4,7-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine?
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82246799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).