N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C15H18IN3O — CID 107381977

IUPACN-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2cccc(I)c2)cn1
InChIInChI=1S/C15H18IN3O/c1-11(2)7-17-8-13-9-19-15(10-18-13)20-14-5-3-4-12(16)6-14/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyVEBDDKUFWOAVOL-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.62
Rot. Bonds6

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

N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107381977) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107381977
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC NameN-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2cccc(I)c2)cn1
InChIInChI=1S/C15H18IN3O/c1-11(2)7-17-8-13-9-19-15(10-18-13)20-14-5-3-4-12(16)6-14/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyVEBDDKUFWOAVOL-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
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-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[4-(3-iodophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552944
2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
CID 107381539
2-(3-iodophenoxy)pyrazine
CID 60644113
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80633976
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379672
5-tert-butyl-2-(3-iodophenoxy)pyridine
CID 107874372

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 107381977) is N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(Oc2cccc(I)c2)cn1.
What is the InChIKey of N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VEBDDKUFWOAVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-11(2)7-17-8-13-9-19-15(10-18-13)20-14-5-3-4-12(16)6-14/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 383.23 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107381977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).