N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C16H20BrN3O — CID 61493253

IUPACN-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nccn1CCOc1c(Br)cccc1CNC1CC1
InChIInChI=1S/C16H20BrN3O/c1-12-18-7-8-20(12)9-10-21-16-13(3-2-4-15(16)17)11-19-14-5-6-14/h2-4,7-8,14,19H,5-6,9-11H2,1H3
InChIKeyYYXWFMCGKJGYAD-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.29
Rot. Bonds7

About N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 61493253) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID61493253
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nccn1CCOc1c(Br)cccc1CNC1CC1
InChIInChI=1S/C16H20BrN3O/c1-12-18-7-8-20(12)9-10-21-16-13(3-2-4-15(16)17)11-19-14-5-6-14/h2-4,7-8,14,19H,5-6,9-11H2,1H3
InChIKeyYYXWFMCGKJGYAD-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 61390985
N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
N-[[3-bromo-2-(4,4,4-trifluorobutoxy)phenyl]methyl]cyclopropanamine
CID 115513176
N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115953317
2-[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 61391071
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 61493253) is N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is Cc1nccn1CCOc1c(Br)cccc1CNC1CC1.
What is the InChIKey of N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is YYXWFMCGKJGYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-12-18-7-8-20(12)9-10-21-16-13(3-2-4-15(16)17)11-19-14-5-6-14/h2-4,7-8,14,19H,5-6,9-11H2,1H3.
What are the key properties of N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 350.26 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61493253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).