1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol

C16H23N3O2 — CID 103006161

IUPAC1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCc1ccnn1C
InChIInChI=1S/C16H23N3O2/c1-13-5-3-4-6-16(13)21-12-15(20)11-17-9-7-14-8-10-18-19(14)2/h3-6,8,10,15,17,20H,7,9,11-12H2,1-2H3
InChIKeyPCWHMHALCNAOJY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.30
Rot. Bonds8

About 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol

1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol (PubChem CID 103006161) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
PubChem CID103006161
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCc1ccnn1C
InChIInChI=1S/C16H23N3O2/c1-13-5-3-4-6-16(13)21-12-15(20)11-17-9-7-14-8-10-18-19(14)2/h3-6,8,10,15,17,20H,7,9,11-12H2,1-2H3
InChIKeyPCWHMHALCNAOJY-UHFFFAOYSA-N
XLogP1.30
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyrazin-2-yloxyethylamino)propan-2-ol
CID 21333239
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 23349126
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 114168416

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol (CID 103006161) is 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol is Cc1ccccc1OCC(O)CNCCc1ccnn1C.
What is the InChIKey of 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is PCWHMHALCNAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-5-3-4-6-16(13)21-12-15(20)11-17-9-7-14-8-10-18-19(14)2/h3-6,8,10,15,17,20H,7,9,11-12H2,1-2H3.
What are the key properties of 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103006161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).