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

C14H19N3O — CID 56720449

IUPAC3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-17(2)10-3-11-18-13-6-4-12(5-7-13)14-15-8-9-16-14/h4-9H,3,10-11H2,1-2H3,(H,15,16)
InChIKeyPDDTWPGAXGIKAG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds6

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

3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 56720449) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID56720449
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-17(2)10-3-11-18-13-6-4-12(5-7-13)14-15-8-9-16-14/h4-9H,3,10-11H2,1-2H3,(H,15,16)
InChIKeyPDDTWPGAXGIKAG-UHFFFAOYSA-N
XLogP2.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride
CID 159025914
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine
CID 77086929
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131
4-[3-(dimethylamino)propoxy]benzenesulfonyl chloride;hydrochloride
CID 87727140
ethane;2-phenyl-1H-imidazole
CID 142210082
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
3-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]-6-[[4-(1H-imidazol-2-ylmethyl)phenyl]methylidene]piperazine-2,5-dione
CID 67581524
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
2-(4-bromophenyl)-1H-imidazole;hydrobromide
CID 174990772

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine (CID 56720449) is 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is PDDTWPGAXGIKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(2)10-3-11-18-13-6-4-12(5-7-13)14-15-8-9-16-14/h4-9H,3,10-11H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 56720449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).