4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol

C17H26N2O2 — CID 61233395

IUPAC4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
SMILESCCN(Cc1ccc(O)c(OC)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H26N2O2/c1-3-19(15-9-13-5-6-14(10-15)18-13)11-12-4-7-16(20)17(8-12)21-2/h4,7-8,13-15,18,20H,3,5-6,9-11H2,1-2H3
InChIKeyXLXGIRZKMIOPIK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds5

About 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol

4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol (PubChem CID 61233395) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
PubChem CID61233395
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
SMILESCCN(Cc1ccc(O)c(OC)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H26N2O2/c1-3-19(15-9-13-5-6-14(10-15)18-13)11-12-4-7-16(20)17(8-12)21-2/h4,7-8,13-15,18,20H,3,5-6,9-11H2,1-2H3
InChIKeyXLXGIRZKMIOPIK-UHFFFAOYSA-N
XLogP2.51
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-[(3-chloro-4-fluorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81155362
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63208507
4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 75504406
3-[[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 122033092
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82886634

Frequently Asked Questions

What is the IUPAC name of 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol (CID 61233395) is 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol is CCN(Cc1ccc(O)c(OC)c1)C1CC2CCC(C1)N2.
What is the InChIKey of 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol?
The InChIKey is XLXGIRZKMIOPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(15-9-13-5-6-14(10-15)18-13)11-12-4-7-16(20)17(8-12)21-2/h4,7-8,13-15,18,20H,3,5-6,9-11H2,1-2H3.
What are the key properties of 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol?
4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol has a molecular weight of 290.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 61233395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).