[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine

C15H17F2N3O2 — CID 68523327

IUPAC[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
SMILESCC(C)Oc1cc(C(N)c2cnccn2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-9(2)21-13-7-10(3-4-12(13)22-15(16)17)14(18)11-8-19-5-6-20-11/h3-9,14-15H,18H2,1-2H3
InChIKeyNYFRCPUSJWRIJR-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.91
Rot. Bonds6

About [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine

[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine (PubChem CID 68523327) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
PubChem CID68523327
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
SMILESCC(C)Oc1cc(C(N)c2cnccn2)ccc1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-9(2)21-13-7-10(3-4-12(13)22-15(16)17)14(18)11-8-19-5-6-20-11/h3-9,14-15H,18H2,1-2H3
InChIKeyNYFRCPUSJWRIJR-UHFFFAOYSA-N
XLogP2.91
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
CID 68522251
[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
CID 115860590
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
CID 115860586
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
CID 68521776
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine
CID 117096809
4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
CID 175553147

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine?
The IUPAC name of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine (CID 68523327) is [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine.
What is the SMILES notation for [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine?
The canonical SMILES for [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine is CC(C)Oc1cc(C(N)c2cnccn2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine?
The InChIKey is NYFRCPUSJWRIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9(2)21-13-7-10(3-4-12(13)22-15(16)17)14(18)11-8-19-5-6-20-11/h3-9,14-15H,18H2,1-2H3.
What are the key properties of [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine?
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine has a molecular weight of 309.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine is sourced from PubChem (CID 68523327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).