N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine

C15H19N3O — CID 63970454

IUPACN-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine
SMILESCOc1ccc(-c2cnccn2)cc1CNC(C)C
InChIInChI=1S/C15H19N3O/c1-11(2)18-9-13-8-12(4-5-15(13)19-3)14-10-16-6-7-17-14/h4-8,10-11,18H,9H2,1-3H3
InChIKeyKYNDWGQOTFFOSE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds5

About N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine

N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine (PubChem CID 63970454) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine
PubChem CID63970454
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine
SMILESCOc1ccc(-c2cnccn2)cc1CNC(C)C
InChIInChI=1S/C15H19N3O/c1-11(2)18-9-13-8-12(4-5-15(13)19-3)14-10-16-6-7-17-14/h4-8,10-11,18H,9H2,1-3H3
InChIKeyKYNDWGQOTFFOSE-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine
CID 170557814
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78950918
1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
CID 22391578
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(5-pyrazin-2-ylfuran-2-yl)methyl]propan-2-amine
CID 106887323
N-[(2-methoxyphenyl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 131963860
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine (CID 63970454) is N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine is COc1ccc(-c2cnccn2)cc1CNC(C)C.
What is the InChIKey of N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine?
The InChIKey is KYNDWGQOTFFOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)18-9-13-8-12(4-5-15(13)19-3)14-10-16-6-7-17-14/h4-8,10-11,18H,9H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine?
N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63970454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).