2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol

C16H21N3O2 — CID 43727366

IUPAC2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
SMILESCOc1cccc(CNC2CCCc3c2cnn3C)c1O
InChIInChI=1S/C16H21N3O2/c1-19-14-7-4-6-13(12(14)10-18-19)17-9-11-5-3-8-15(21-2)16(11)20/h3,5,8,10,13,17,20H,4,6-7,9H2,1-2H3
InChIKeyIIBPTDIZNUFOGV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.30
Rot. Bonds4

About 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol

2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol (PubChem CID 43727366) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
PubChem CID43727366
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
SMILESCOc1cccc(CNC2CCCc3c2cnn3C)c1O
InChIInChI=1S/C16H21N3O2/c1-19-14-7-4-6-13(12(14)10-18-19)17-9-11-5-3-8-15(21-2)16(11)20/h3,5,8,10,13,17,20H,4,6-7,9H2,1-2H3
InChIKeyIIBPTDIZNUFOGV-UHFFFAOYSA-N
XLogP2.30
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol with MolForge

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Related Compounds

(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
2-bromo-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 61391448
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173
4-methoxy-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727317
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
4-methyl-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 63324763
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
3-methoxy-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzonitrile
CID 107466622
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol (CID 43727366) is 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol is COc1cccc(CNC2CCCc3c2cnn3C)c1O.
What is the InChIKey of 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol?
The InChIKey is IIBPTDIZNUFOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-14-7-4-6-13(12(14)10-18-19)17-9-11-5-3-8-15(21-2)16(11)20/h3,5,8,10,13,17,20H,4,6-7,9H2,1-2H3.
What are the key properties of 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol?
2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 43727366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).