N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine

C15H20BrN3O2 — CID 115961132

IUPACN-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cc(C)c1OCc1nc(CC)no1
InChIInChI=1S/C15H20BrN3O2/c1-4-13-18-14(21-19-13)9-20-15-10(3)6-12(16)7-11(15)8-17-5-2/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyGYVGFCCSHWDMKA-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.39
Rot. Bonds7

About N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine

N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine (PubChem CID 115961132) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
PubChem CID115961132
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cc(C)c1OCc1nc(CC)no1
InChIInChI=1S/C15H20BrN3O2/c1-4-13-18-14(21-19-13)9-20-15-10(3)6-12(16)7-11(15)8-17-5-2/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyGYVGFCCSHWDMKA-UHFFFAOYSA-N
XLogP3.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine 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

N-[[5-bromo-3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961239
N-[[3,5-dichloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 60887514
[5-bromo-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]methanamine
CID 112619754
N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197
2-[5-bromo-3-methyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 115962723
1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 115961024
N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882467
N-[[5-bromo-3-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640482
N-[[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961178
N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
N-[[5-bromo-3-methyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 115961186
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 61497109

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine (CID 115961132) is N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine is CCNCc1cc(Br)cc(C)c1OCc1nc(CC)no1.
What is the InChIKey of N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine?
The InChIKey is GYVGFCCSHWDMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-13-18-14(21-19-13)9-20-15-10(3)6-12(16)7-11(15)8-17-5-2/h6-7,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine?
N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine has a molecular weight of 354.25 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 115961132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).