1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine

C16H22BrN3O — CID 66152678

IUPAC1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCc1cncn1C(C)C
InChIInChI=1S/C16H22BrN3O/c1-11(2)20-10-19-8-14(20)9-21-16-6-5-13(17)7-15(16)12(3)18-4/h5-8,10-12,18H,9H2,1-4H3
InChIKeyZBTSGYUPTYHRRA-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.09
Rot. Bonds6

About 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine

1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 66152678) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID66152678
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCc1cncn1C(C)C
InChIInChI=1S/C16H22BrN3O/c1-11(2)20-10-19-8-14(20)9-21-16-6-5-13(17)7-15(16)12(3)18-4/h5-8,10-12,18H,9H2,1-4H3
InChIKeyZBTSGYUPTYHRRA-UHFFFAOYSA-N
XLogP4.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine 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

5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
CID 66154990
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947375
1-[5-bromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-methylethanamine
CID 106597369
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 62393198
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154784
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine (CID 66152678) is 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1OCc1cncn1C(C)C.
What is the InChIKey of 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is ZBTSGYUPTYHRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-11(2)20-10-19-8-14(20)9-21-16-6-5-13(17)7-15(16)12(3)18-4/h5-8,10-12,18H,9H2,1-4H3.
What are the key properties of 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 352.28 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 66152678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).