N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine

C13H16ClN3O3 — CID 104664701

IUPACN-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(OC)c1OCc1ncon1
InChIInChI=1S/C13H16ClN3O3/c1-3-15-6-9-4-10(14)5-11(18-2)13(9)19-7-12-16-8-20-17-12/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyBABDZEIHHCZTMH-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.42
Rot. Bonds7

About N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine

N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 104664701) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID104664701
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(OC)c1OCc1ncon1
InChIInChI=1S/C13H16ClN3O3/c1-3-15-6-9-4-10(14)5-11(18-2)13(9)19-7-12-16-8-20-17-12/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyBABDZEIHHCZTMH-UHFFFAOYSA-N
XLogP2.42
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104664687
4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 104664581
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 104664704
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 104664579
N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60879114
N-[[5-chloro-3-methoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664670
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471773
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine (CID 104664701) is N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(OC)c1OCc1ncon1.
What is the InChIKey of N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is BABDZEIHHCZTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-3-15-6-9-4-10(14)5-11(18-2)13(9)19-7-12-16-8-20-17-12/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 297.74 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 104664701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).