5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol

C16H24N2O2 — CID 82983416

IUPAC5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
SMILESCOc1ccc(CN2CCC3CCC(C2)N3C)c(O)c1
InChIInChI=1S/C16H24N2O2/c1-17-13-4-5-14(17)11-18(8-7-13)10-12-3-6-15(20-2)9-16(12)19/h3,6,9,13-14,19H,4-5,7-8,10-11H2,1-2H3
InChIKeyBUZOJNUKJAMAJK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds3

About 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol

5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol (PubChem CID 82983416) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
PubChem CID82983416
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
SMILESCOc1ccc(CN2CCC3CCC(C2)N3C)c(O)c1
InChIInChI=1S/C16H24N2O2/c1-17-13-4-5-14(17)11-18(8-7-13)10-12-3-6-15(20-2)9-16(12)19/h3,6,9,13-14,19H,4-5,7-8,10-11H2,1-2H3
InChIKeyBUZOJNUKJAMAJK-UHFFFAOYSA-N
XLogP2.07
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
3-[(2-bromo-5-methoxyphenyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79174330
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
(2-hydroxy-4-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79117583
[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
CID 79175481
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 79174436

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol (CID 82983416) is 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol is COc1ccc(CN2CCC3CCC(C2)N3C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol?
The InChIKey is BUZOJNUKJAMAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-13-4-5-14(17)11-18(8-7-13)10-12-3-6-15(20-2)9-16(12)19/h3,6,9,13-14,19H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol?
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol has a molecular weight of 276.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol is sourced from PubChem (CID 82983416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).