2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol

C17H25NO2 — CID 63682765

IUPAC2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2CC3CCC2C3)c1
InChIInChI=1S/C17H25NO2/c1-11(16-9-15(20-2)5-6-17(16)19)18-10-14-8-12-3-4-13(14)7-12/h5-6,9,11-14,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyNWMWPOYVTAHBQS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.49
Rot. Bonds5

About 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol

2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol (PubChem CID 63682765) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol
PubChem CID63682765
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2CC3CCC2C3)c1
InChIInChI=1S/C17H25NO2/c1-11(16-9-15(20-2)5-6-17(16)19)18-10-14-8-12-3-4-13(14)7-12/h5-6,9,11-14,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyNWMWPOYVTAHBQS-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.49
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

2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 64927300
4-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]benzene-1,3-diol
CID 63688848
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-2-methylaniline
CID 79555117
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
CID 79548207
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 61087143

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol (CID 63682765) is 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCC2CC3CCC2C3)c1.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol?
The InChIKey is NWMWPOYVTAHBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(16-9-15(20-2)5-6-17(16)19)18-10-14-8-12-3-4-13(14)7-12/h5-6,9,11-14,18-19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol?
2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol has a molecular weight of 275.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol is sourced from PubChem (CID 63682765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).