(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol

C16H23N3O2 — CID 95350933

IUPAC(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
SMILESCOc1ccc(C)cc1[C@@H](O)CNCCn1cc(C)cn1
InChIInChI=1S/C16H23N3O2/c1-12-4-5-16(21-3)14(8-12)15(20)10-17-6-7-19-11-13(2)9-18-19/h4-5,8-9,11,15,17,20H,6-7,10H2,1-3H3/t15-/m0/s1
InChIKeyRIFVJUNLJLLWTI-HNNXBMFYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds7

About (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol

(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol (PubChem CID 95350933) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
PubChem CID95350933
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
SMILESCOc1ccc(C)cc1[C@@H](O)CNCCn1cc(C)cn1
InChIInChI=1S/C16H23N3O2/c1-12-4-5-16(21-3)14(8-12)15(20)10-17-6-7-19-11-13(2)9-18-19/h4-5,8-9,11,15,17,20H,6-7,10H2,1-3H3/t15-/m0/s1
InChIKeyRIFVJUNLJLLWTI-HNNXBMFYSA-N
XLogP1.83
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
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-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649568
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103650750
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
CID 83021665
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
1-(2,4-dimethoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 103871912

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol?
The IUPAC name of (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol (CID 95350933) is (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol.
What is the SMILES notation for (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol?
The canonical SMILES for (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol is COc1ccc(C)cc1[C@@H](O)CNCCn1cc(C)cn1.
What is the InChIKey of (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol?
The InChIKey is RIFVJUNLJLLWTI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-4-5-16(21-3)14(8-12)15(20)10-17-6-7-19-11-13(2)9-18-19/h4-5,8-9,11,15,17,20H,6-7,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol?
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol has a molecular weight of 289.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol is sourced from PubChem (CID 95350933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).