[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine

C14H18BrN3O3 — CID 61497341

IUPAC[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)cc(Br)c1OCc1noc(CC)n1
InChIInChI=1S/C14H18BrN3O3/c1-3-13-17-12(18-21-13)8-20-14-10(15)5-9(7-16)6-11(14)19-4-2/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyDOVIKMQKDFFDSK-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.83
Rot. Bonds7

About [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine

[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 61497341) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
PubChem CID61497341
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)cc(Br)c1OCc1noc(CC)n1
InChIInChI=1S/C14H18BrN3O3/c1-3-13-17-12(18-21-13)8-20-14-10(15)5-9(7-16)6-11(14)19-4-2/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyDOVIKMQKDFFDSK-UHFFFAOYSA-N
XLogP2.83
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]methanamine
CID 61497302
[3,5-dibromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 107741561
[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60887547
[3-bromo-5-ethoxy-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 43627156
1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61497303
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
[5-bromo-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]methanamine
CID 112619754
[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine
CID 104796211
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 43626842
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (CID 61497341) is [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is CCOc1cc(CN)cc(Br)c1OCc1noc(CC)n1.
What is the InChIKey of [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is DOVIKMQKDFFDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-3-13-17-12(18-21-13)8-20-14-10(15)5-9(7-16)6-11(14)19-4-2/h5-6H,3-4,7-8,16H2,1-2H3.
What are the key properties of [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 356.22 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 61497341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).