2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol

C17H26N2O2 — CID 65470463

IUPAC2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
SMILESCOc1cc(CNC2CC3CCCC(C2)N3C)ccc1O
InChIInChI=1S/C17H26N2O2/c1-19-14-4-3-5-15(19)10-13(9-14)18-11-12-6-7-16(20)17(8-12)21-2/h6-8,13-15,18,20H,3-5,9-11H2,1-2H3
InChIKeyQPFMOLXKDGXACX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds4

About 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol

2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol (PubChem CID 65470463) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
PubChem CID65470463
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
SMILESCOc1cc(CNC2CC3CCCC(C2)N3C)ccc1O
InChIInChI=1S/C17H26N2O2/c1-19-14-4-3-5-15(19)10-13(9-14)18-11-12-6-7-16(20)17(8-12)21-2/h6-8,13-15,18,20H,3-5,9-11H2,1-2H3
InChIKeyQPFMOLXKDGXACX-UHFFFAOYSA-N
XLogP2.51
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 155509277
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
4-[(9H-fluoren-9-ylamino)methyl]-2-methoxyphenol
CID 57427913
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol;formic acid
CID 155940077
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol (CID 65470463) is 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol is COc1cc(CNC2CC3CCCC(C2)N3C)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol?
The InChIKey is QPFMOLXKDGXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-14-4-3-5-15(19)10-13(9-14)18-11-12-6-7-16(20)17(8-12)21-2/h6-8,13-15,18,20H,3-5,9-11H2,1-2H3.
What are the key properties of 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol?
2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol has a molecular weight of 290.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 65470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).