2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol

C17H25NO2 — CID 82981204

IUPAC2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN(C)CC2CC3CCC2C3)c(O)c1
InChIInChI=1S/C17H25NO2/c1-18(11-15-8-12-3-4-13(15)7-12)10-14-5-6-16(20-2)9-17(14)19/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyGXJSEOCYIATMNE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.27
Rot. Bonds5

About 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol

2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol (PubChem CID 82981204) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol
PubChem CID82981204
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN(C)CC2CC3CCC2C3)c(O)c1
InChIInChI=1S/C17H25NO2/c1-18(11-15-8-12-3-4-13(15)7-12)10-14-5-6-16(20-2)9-17(14)19/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyGXJSEOCYIATMNE-UHFFFAOYSA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
CID 63681815
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzoic acid
CID 63685182
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 63684150
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 63682953
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 63683981
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 106788229
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
CID 65491102
2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol
CID 63682765
5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978542

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol (CID 82981204) is 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol is COc1ccc(CN(C)CC2CC3CCC2C3)c(O)c1.
What is the InChIKey of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol?
The InChIKey is GXJSEOCYIATMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(11-15-8-12-3-4-13(15)7-12)10-14-5-6-16(20-2)9-17(14)19/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol?
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol has a molecular weight of 275.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol is sourced from PubChem (CID 82981204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).