2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine

C16H24N4O — CID 77086929

IUPAC2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(CN(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H24N4O/c1-19(2)10-11-21-15-6-4-14(5-7-15)12-20(3)13-16-17-8-9-18-16/h4-9H,10-13H2,1-3H3,(H,17,18)
InChIKeyVWJZLZLBRHOZBD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds8

About 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine

2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 77086929) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine
PubChem CID77086929
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(CN(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H24N4O/c1-19(2)10-11-21-15-6-4-14(5-7-15)12-20(3)13-16-17-8-9-18-16/h4-9H,10-13H2,1-3H3,(H,17,18)
InChIKeyVWJZLZLBRHOZBD-UHFFFAOYSA-N
XLogP1.98
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine (CID 77086929) is 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(CN(C)Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is VWJZLZLBRHOZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)10-11-21-15-6-4-14(5-7-15)12-20(3)13-16-17-8-9-18-16/h4-9H,10-13H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 288.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 77086929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).