1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C14H18BrN3O2 — CID 61013628

IUPAC1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCOc1ccc(Br)cc1CNCc1nc(C)no1
InChIInChI=1S/C14H18BrN3O2/c1-3-6-19-13-5-4-12(15)7-11(13)8-16-9-14-17-10(2)18-20-14/h4-5,7,16H,3,6,8-9H2,1-2H3
InChIKeyYOONWFLAWZTUMZ-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.22
Rot. Bonds7

About 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 61013628) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID61013628
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCOc1ccc(Br)cc1CNCc1nc(C)no1
InChIInChI=1S/C14H18BrN3O2/c1-3-6-19-13-5-4-12(15)7-11(13)8-16-9-14-17-10(2)18-20-14/h4-5,7,16H,3,6,8-9H2,1-2H3
InChIKeyYOONWFLAWZTUMZ-UHFFFAOYSA-N
XLogP3.22
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056676
N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057175
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 62524190
1-(5-bromo-2-propoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884481
1-(2-methoxy-5-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903130
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29224737
2-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931327
1-(5-bromo-2-propoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237378
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[[5-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60883701
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910425

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 61013628) is 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCCOc1ccc(Br)cc1CNCc1nc(C)no1.
What is the InChIKey of 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is YOONWFLAWZTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-6-19-13-5-4-12(15)7-11(13)8-16-9-14-17-10(2)18-20-14/h4-5,7,16H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 340.22 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 61013628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).