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

C13H15F2N3O — CID 106396288

IUPAC1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1cc(F)c(C(C)NCCc2ncon2)cc1F
InChIInChI=1S/C13H15F2N3O/c1-8-5-12(15)10(6-11(8)14)9(2)16-4-3-13-17-7-19-18-13/h5-7,9,16H,3-4H2,1-2H3
InChIKeyPHPSANIVADSRDN-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.55
Rot. Bonds5

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

1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (PubChem CID 106396288) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
PubChem CID106396288
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1cc(F)c(C(C)NCCc2ncon2)cc1F
InChIInChI=1S/C13H15F2N3O/c1-8-5-12(15)10(6-11(8)14)9(2)16-4-3-13-17-7-19-18-13/h5-7,9,16H,3-4H2,1-2H3
InChIKeyPHPSANIVADSRDN-UHFFFAOYSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395709
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80681764
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 114183393
1-(2-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396340
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide
CID 106333847
1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395806
1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393492
1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395540
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (CID 106396288) is 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is Cc1cc(F)c(C(C)NCCc2ncon2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The InChIKey is PHPSANIVADSRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-8-5-12(15)10(6-11(8)14)9(2)16-4-3-13-17-7-19-18-13/h5-7,9,16H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine has a molecular weight of 267.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 106396288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).