4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol

C18H27NO — CID 82981135

IUPAC4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(C)CC2CC3CCC2C3)cc(C)c1O
InChIInChI=1S/C18H27NO/c1-12-6-15(7-13(2)18(12)20)10-19(3)11-17-9-14-4-5-16(17)8-14/h6-7,14,16-17,20H,4-5,8-11H2,1-3H3
InChIKeyFPZLWLOCNMKGRJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.88
Rot. Bonds4

About 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol

4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 82981135) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol
PubChem CID82981135
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(C)CC2CC3CCC2C3)cc(C)c1O
InChIInChI=1S/C18H27NO/c1-12-6-15(7-13(2)18(12)20)10-19(3)11-17-9-14-4-5-16(17)8-14/h6-7,14,16-17,20H,4-5,8-11H2,1-3H3
InChIKeyFPZLWLOCNMKGRJ-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
CID 65491102
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63888471
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63881324
[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
CID 63681815
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol
CID 82981204
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63682795
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 106788229
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
CID 63681510
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63683904
N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63681873
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzoic acid
CID 63685182
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727

Frequently Asked Questions

What is the IUPAC name of 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol (CID 82981135) is 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol is Cc1cc(CN(C)CC2CC3CCC2C3)cc(C)c1O.
What is the InChIKey of 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is FPZLWLOCNMKGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-6-15(7-13(2)18(12)20)10-19(3)11-17-9-14-4-5-16(17)8-14/h6-7,14,16-17,20H,4-5,8-11H2,1-3H3.
What are the key properties of 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol?
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 273.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 82981135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).