3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine

C18H27N3O — CID 142805755

IUPAC3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc(-c2cn(C)c(C)n2)cc1
InChIInChI=1S/C18H27N3O/c1-5-21(6-2)12-7-13-22-17-10-8-16(9-11-17)18-14-20(4)15(3)19-18/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyBPPKTWXONADENN-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.51
Rot. Bonds8

About 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine

3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine (PubChem CID 142805755) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine
PubChem CID142805755
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc(-c2cn(C)c(C)n2)cc1
InChIInChI=1S/C18H27N3O/c1-5-21(6-2)12-7-13-22-17-10-8-16(9-11-17)18-14-20(4)15(3)19-18/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyBPPKTWXONADENN-UHFFFAOYSA-N
XLogP3.51
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-butyl-4-[4-(4-chlorophenoxy)phenyl]imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699189
3-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(ethoxymethyl)imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 126704820
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
3-[4-[4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(methoxymethyl)imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699123
3-[4-[2-butyl-1-[4-(3,4-dichlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699013
3-[4-[4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(3-phenoxypropyl)imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699311
4-(1,2-dimethylimidazol-4-yl)benzonitrile
CID 59597714
3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 19938404
N,N-diethyl-3-[4-[1-[(E)-4-(2-phenylbenzimidazol-1-yl)but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 15291585
3-[4-[4-[4-[3,3-bis(4-fluorophenyl)propoxy]phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699126
N,N-diethyl-3-[4-[1-[(E)-4-[2-(4-methoxyphenyl)benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 19938405
3-[3-butyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]oxy-N,N-diethylpropan-1-amine
CID 59699031

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine (CID 142805755) is 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1ccc(-c2cn(C)c(C)n2)cc1.
What is the InChIKey of 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine?
The InChIKey is BPPKTWXONADENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-5-21(6-2)12-7-13-22-17-10-8-16(9-11-17)18-14-20(4)15(3)19-18/h8-11,14H,5-7,12-13H2,1-4H3.
What are the key properties of 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine?
3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 142805755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).