1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C13H15F2N3O2 — CID 61014859

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1noc(CNC(C)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H15F2N3O2/c1-8(16-7-12-17-9(2)18-20-12)10-4-3-5-11(6-10)19-13(14)15/h3-6,8,13,16H,7H2,1-2H3
InChIKeyMLIMREYVQPCRMN-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.83
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 61014859) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID61014859
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1noc(CNC(C)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H15F2N3O2/c1-8(16-7-12-17-9(2)18-20-12)10-4-3-5-11(6-10)19-13(14)15/h3-6,8,13,16H,7H2,1-2H3
InChIKeyMLIMREYVQPCRMN-UHFFFAOYSA-N
XLogP2.83
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 54903276
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014465
1-(3-chloro-4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 54903560
1-[3-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79570391
1-[3-(difluoromethoxy)phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884781
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43095815
1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 112815867

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 61014859) is 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is Cc1noc(CNC(C)c2cccc(OC(F)F)c2)n1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is MLIMREYVQPCRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-8(16-7-12-17-9(2)18-20-12)10-4-3-5-11(6-10)19-13(14)15/h3-6,8,13,16H,7H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 283.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).