N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine

C15H18BrN3O — CID 60883681

IUPACN-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(OCCn2ccnc2)c(CNC2CC2)c1
InChIInChI=1S/C15H18BrN3O/c16-13-1-4-15(12(9-13)10-18-14-2-3-14)20-8-7-19-6-5-17-11-19/h1,4-6,9,11,14,18H,2-3,7-8,10H2
InChIKeyVRCNAXDGTGIJLU-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.98
Rot. Bonds7

About N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 60883681) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID60883681
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(OCCn2ccnc2)c(CNC2CC2)c1
InChIInChI=1S/C15H18BrN3O/c16-13-1-4-15(12(9-13)10-18-14-2-3-14)20-8-7-19-6-5-17-11-19/h1,4-6,9,11,14,18H,2-3,7-8,10H2
InChIKeyVRCNAXDGTGIJLU-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883707
1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43277658
N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
N-[(5-bromo-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29224809
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120
N-[[5-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60881433
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine (CID 60883681) is N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine is Brc1ccc(OCCn2ccnc2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is VRCNAXDGTGIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-13-1-4-15(12(9-13)10-18-14-2-3-14)20-8-7-19-6-5-17-11-19/h1,4-6,9,11,14,18H,2-3,7-8,10H2.
What are the key properties of N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 336.23 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60883681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).