5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol

C16H23NO2 — CID 62734294

IUPAC5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC2CC3CCC2C3)cc1O
InChIInChI=1S/C16H23NO2/c1-19-16-5-3-12(8-15(16)18)9-17-10-14-7-11-2-4-13(14)6-11/h3,5,8,11,13-14,17-18H,2,4,6-7,9-10H2,1H3
InChIKeyDFEWPUTTXRHCQX-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.93
Rot. Bonds5

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

5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol (PubChem CID 62734294) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
PubChem CID62734294
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC2CC3CCC2C3)cc1O
InChIInChI=1S/C16H23NO2/c1-19-16-5-3-12(8-15(16)18)9-17-10-14-7-11-2-4-13(14)6-11/h3,5,8,11,13-14,17-18H,2,4,6-7,9-10H2,1H3
InChIKeyDFEWPUTTXRHCQX-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
CID 63681912
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 62734103
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
4-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787494
5-[(2-adamantylamino)methyl]-2-methoxyphenol
CID 43221925
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
methyl 5-[[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-2-methoxybenzoate
CID 98315209
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
CID 62734100
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol (CID 62734294) is 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol is COc1ccc(CNCC2CC3CCC2C3)cc1O.
What is the InChIKey of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol?
The InChIKey is DFEWPUTTXRHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16-5-3-12(8-15(16)18)9-17-10-14-7-11-2-4-13(14)6-11/h3,5,8,11,13-14,17-18H,2,4,6-7,9-10H2,1H3.
What are the key properties of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol?
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol has a molecular weight of 261.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 62734294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).