N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C14H16BrN3O2 — CID 61390985

IUPACN-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nnc(COc2c(Br)cccc2CNC2CC2)o1
InChIInChI=1S/C14H16BrN3O2/c1-9-17-18-13(20-9)8-19-14-10(3-2-4-12(14)15)7-16-11-5-6-11/h2-4,11,16H,5-8H2,1H3
InChIKeyWZXIPOIVRYPZHW-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.97
Rot. Bonds6

About N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 61390985) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID61390985
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nnc(COc2c(Br)cccc2CNC2CC2)o1
InChIInChI=1S/C14H16BrN3O2/c1-9-17-18-13(20-9)8-19-14-10(3-2-4-12(14)15)7-16-11-5-6-11/h2-4,11,16H,5-8H2,1H3
InChIKeyWZXIPOIVRYPZHW-UHFFFAOYSA-N
XLogP2.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
N-[[3-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 61390087
N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493253
N-[[3-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609309
2-[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 61391071
N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609048
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
N-[[3-bromo-2-(4,4,4-trifluorobutoxy)phenyl]methyl]cyclopropanamine
CID 115513176
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
2-methoxy-N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115954443

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 61390985) is N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is Cc1nnc(COc2c(Br)cccc2CNC2CC2)o1.
What is the InChIKey of N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is WZXIPOIVRYPZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-17-18-13(20-9)8-19-14-10(3-2-4-12(14)15)7-16-11-5-6-11/h2-4,11,16H,5-8H2,1H3.
What are the key properties of N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 338.21 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61390985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).