N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C17H23N3O — CID 107381790

IUPACN-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2cnc(CNCC(C)C)cn2)cc1C
InChIInChI=1S/C17H23N3O/c1-12(2)8-18-9-15-10-20-17(11-19-15)21-16-6-5-13(3)14(4)7-16/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeyZNMMGBQZZZVWAQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds6

About N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107381790) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107381790
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2cnc(CNCC(C)C)cn2)cc1C
InChIInChI=1S/C17H23N3O/c1-12(2)8-18-9-15-10-20-17(11-19-15)21-16-6-5-13(3)14(4)7-16/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeyZNMMGBQZZZVWAQ-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107382420
N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381977
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381641
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
CID 107381539
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381797
N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295739

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 107381790) is N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(Oc2cnc(CNCC(C)C)cn2)cc1C.
What is the InChIKey of N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZNMMGBQZZZVWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)8-18-9-15-10-20-17(11-19-15)21-16-6-5-13(3)14(4)7-16/h5-7,10-12,18H,8-9H2,1-4H3.
What are the key properties of N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107381790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).