1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

C17H23N3 — CID 102612282

IUPAC1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1nccnc1C)c1ccc(C)cc1
InChIInChI=1S/C17H23N3/c1-5-16(15-8-6-12(2)7-9-15)20-14(4)17-13(3)18-10-11-19-17/h6-11,14,16,20H,5H2,1-4H3
InChIKeyWJWMASVQCLKXOU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 102612282) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
PubChem CID102612282
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1nccnc1C)c1ccc(C)cc1
InChIInChI=1S/C17H23N3/c1-5-16(15-8-6-12(2)7-9-15)20-14(4)17-13(3)18-10-11-19-17/h6-11,14,16,20H,5H2,1-4H3
InChIKeyWJWMASVQCLKXOU-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(3-methylpyrazin-2-yl)ethylamino]-2-phenylethanol
CID 102612924
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612284
N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
CID 102612956
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 61192274
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612365
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (CID 102612282) is 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is CCC(NC(C)c1nccnc1C)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is WJWMASVQCLKXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-16(15-8-6-12(2)7-9-15)20-14(4)17-13(3)18-10-11-19-17/h6-11,14,16,20H,5H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102612282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).