1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol

C16H21N3O3 — CID 21333239

IUPAC1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCOc1cnccn1
InChIInChI=1S/C16H21N3O3/c1-13-4-2-3-5-15(13)22-12-14(20)10-18-8-9-21-16-11-17-6-7-19-16/h2-7,11,14,18,20H,8-10,12H2,1H3
InChIKeyZDSNMIDHJVOYEL-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.19
Rot. Bonds9

About 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol

1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol (PubChem CID 21333239) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol
PubChem CID21333239
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCOc1cnccn1
InChIInChI=1S/C16H21N3O3/c1-13-4-2-3-5-15(13)22-12-14(20)10-18-8-9-21-16-11-17-6-7-19-16/h2-7,11,14,18,20H,8-10,12H2,1H3
InChIKeyZDSNMIDHJVOYEL-UHFFFAOYSA-N
XLogP1.19
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 103006161
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol (CID 21333239) is 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol is Cc1ccccc1OCC(O)CNCCOc1cnccn1.
What is the InChIKey of 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol?
The InChIKey is ZDSNMIDHJVOYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-13-4-2-3-5-15(13)22-12-14(20)10-18-8-9-21-16-11-17-6-7-19-16/h2-7,11,14,18,20H,8-10,12H2,1H3.
What are the key properties of 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol?
1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol has a molecular weight of 303.36 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol is sourced from PubChem (CID 21333239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).