N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

C15H17Br2N3O — CID 107382214

IUPACN-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Oc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C15H17Br2N3O/c1-15(2,3)20-8-11-7-19-14(9-18-11)21-13-5-4-10(16)6-12(13)17/h4-7,9,20H,8H2,1-3H3
InChIKeyBKBHAPFAKOUGAW-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.68
Rot. Bonds4

About N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107382214) has the molecular formula C15H17Br2N3O and a molecular weight of 415.13 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107382214
Molecular FormulaC15H17Br2N3O
Molecular Weight415.13 g/mol
Exact Mass412.97
IUPAC NameN-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Oc2ccc(Br)cc2Br)cn1
InChIInChI=1S/C15H17Br2N3O/c1-15(2,3)20-8-11-7-19-14(9-18-11)21-13-5-4-10(16)6-12(13)17/h4-7,9,20H,8H2,1-3H3
InChIKeyBKBHAPFAKOUGAW-UHFFFAOYSA-N
XLogP4.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381689
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107381999
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382234
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63217068
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
CID 107373728
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
5-chloro-2-(2,4-dibromophenoxy)pyridine
CID 66232099
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 107382214) is N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(Oc2ccc(Br)cc2Br)cn1.
What is the InChIKey of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BKBHAPFAKOUGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3O/c1-15(2,3)20-8-11-7-19-14(9-18-11)21-13-5-4-10(16)6-12(13)17/h4-7,9,20H,8H2,1-3H3.
What are the key properties of N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 415.13 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107382214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).