N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine

C15H19N3O — CID 60819950

IUPACN-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cnccn1
InChIInChI=1S/C15H19N3O/c1-3-8-18-15(14-11-16-9-10-17-14)12-4-6-13(19-2)7-5-12/h4-7,9-11,15,18H,3,8H2,1-2H3
InChIKeyGGKIEBDXVVCWAB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds6

About N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 60819950) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID60819950
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cnccn1
InChIInChI=1S/C15H19N3O/c1-3-8-18-15(14-11-16-9-10-17-14)12-4-6-13(19-2)7-5-12/h4-7,9-11,15,18H,3,8H2,1-2H3
InChIKeyGGKIEBDXVVCWAB-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117
N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 60819950) is N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)c1cnccn1.
What is the InChIKey of N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is GGKIEBDXVVCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-8-18-15(14-11-16-9-10-17-14)12-4-6-13(19-2)7-5-12/h4-7,9-11,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 60819950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).