2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol

C17H25NO2 — CID 62734100

IUPAC2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCC2CC3CCC2C3)c1O
InChIInChI=1S/C17H25NO2/c1-2-20-16-5-3-4-14(17(16)19)10-18-11-15-9-12-6-7-13(15)8-12/h3-5,12-13,15,18-19H,2,6-11H2,1H3
InChIKeyVQHCXHBAKUEAME-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.32
Rot. Bonds6

About 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol

2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol (PubChem CID 62734100) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
PubChem CID62734100
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCC2CC3CCC2C3)c1O
InChIInChI=1S/C17H25NO2/c1-2-20-16-5-3-4-14(17(16)19)10-18-11-15-9-12-6-7-13(15)8-12/h3-5,12-13,15,18-19H,2,6-11H2,1H3
InChIKeyVQHCXHBAKUEAME-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
CID 62734294
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol
CID 63896297
N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602924
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
CID 79562530
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol (CID 62734100) is 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol is CCOc1cccc(CNCC2CC3CCC2C3)c1O.
What is the InChIKey of 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol?
The InChIKey is VQHCXHBAKUEAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-16-5-3-4-14(17(16)19)10-18-11-15-9-12-6-7-13(15)8-12/h3-5,12-13,15,18-19H,2,6-11H2,1H3.
What are the key properties of 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol?
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol has a molecular weight of 275.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol is sourced from PubChem (CID 62734100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).