2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol

C17H26N2O2 — CID 61231044

IUPAC2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N(C)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C17H26N2O2/c1-11(16-10-15(21-3)6-7-17(16)20)19(2)14-8-12-4-5-13(9-14)18-12/h6-7,10-14,18,20H,4-5,8-9H2,1-3H3
InChIKeyYADPDVLNHWVKKC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds4

About 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol

2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol (PubChem CID 61231044) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol
PubChem CID61231044
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N(C)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C17H26N2O2/c1-11(16-10-15(21-3)6-7-17(16)20)19(2)14-8-12-4-5-13(9-14)18-12/h6-7,10-14,18,20H,4-5,8-9H2,1-3H3
InChIKeyYADPDVLNHWVKKC-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232574
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323
2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol
CID 115318691
2-[butan-2-yl-[1-(2-hydroxy-5-methoxyphenyl)ethyl]amino]acetic acid
CID 65057985
3-[ethyl-[1-(2-hydroxy-5-methoxyphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65061561
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
2-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4-methoxyphenol
CID 43190984
2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol
CID 103922892
4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 61233395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol (CID 61231044) is 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)N(C)C2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol?
The InChIKey is YADPDVLNHWVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(16-10-15(21-3)6-7-17(16)20)19(2)14-8-12-4-5-13(9-14)18-12/h6-7,10-14,18,20H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol?
2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol has a molecular weight of 290.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 61231044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).