3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine

C17H23N3O — CID 105150138

IUPAC3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOc1cccc(C)c1)c1cnccn1
InChIInChI=1S/C17H23N3O/c1-3-8-19-16(17-13-18-9-10-20-17)7-11-21-15-6-4-5-14(2)12-15/h4-6,9-10,12-13,16,19H,3,7-8,11H2,1-2H3
InChIKeyRMIDRODTJLISHI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.29
Rot. Bonds8

About 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine

3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 105150138) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID105150138
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOc1cccc(C)c1)c1cnccn1
InChIInChI=1S/C17H23N3O/c1-3-8-19-16(17-13-18-9-10-20-17)7-11-21-15-6-4-5-14(2)12-15/h4-6,9-10,12-13,16,19H,3,7-8,11H2,1-2H3
InChIKeyRMIDRODTJLISHI-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
CID 63969223
1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
CID 105150714
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine
CID 115374230
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105119056
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106857672

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine (CID 105150138) is 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine is CCCNC(CCOc1cccc(C)c1)c1cnccn1.
What is the InChIKey of 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is RMIDRODTJLISHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-19-16(17-13-18-9-10-20-17)7-11-21-15-6-4-5-14(2)12-15/h4-6,9-10,12-13,16,19H,3,7-8,11H2,1-2H3.
What are the key properties of 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 105150138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).