5-[(2-adamantylamino)methyl]-2-methoxyphenol

C18H25NO2 — CID 43221925

IUPAC5-[(2-adamantylamino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1O
InChIInChI=1S/C18H25NO2/c1-21-17-3-2-11(9-16(17)20)10-19-18-14-5-12-4-13(7-14)8-15(18)6-12/h2-3,9,12-15,18-20H,4-8,10H2,1H3
InChIKeyPJAWRVOBMSLJJZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.32
Rot. Bonds4

About 5-[(2-adamantylamino)methyl]-2-methoxyphenol

5-[(2-adamantylamino)methyl]-2-methoxyphenol (PubChem CID 43221925) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 5-[(2-adamantylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2-adamantylamino)methyl]-2-methoxyphenol
PubChem CID43221925
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name5-[(2-adamantylamino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1O
InChIInChI=1S/C18H25NO2/c1-21-17-3-2-11(9-16(17)20)10-19-18-14-5-12-4-13(7-14)8-15(18)6-12/h2-3,9,12-15,18-20H,4-8,10H2,1H3
InChIKeyPJAWRVOBMSLJJZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-adamantylamino)methyl]benzene-1,2-diol
CID 43224561
N-[(4-methoxy-3-methylphenyl)methyl]adamantan-2-amine;oxalic acid
CID 17367800
N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine
CID 29225745
2-[4-[(2-adamantylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 1017360
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
CID 62734294
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine
CID 105401271
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
CID 103702283
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429

Frequently Asked Questions

What is the IUPAC name of 5-[(2-adamantylamino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2-adamantylamino)methyl]-2-methoxyphenol (CID 43221925) is 5-[(2-adamantylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2-adamantylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2-adamantylamino)methyl]-2-methoxyphenol is COc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1O.
What is the InChIKey of 5-[(2-adamantylamino)methyl]-2-methoxyphenol?
The InChIKey is PJAWRVOBMSLJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-17-3-2-11(9-16(17)20)10-19-18-14-5-12-4-13(7-14)8-15(18)6-12/h2-3,9,12-15,18-20H,4-8,10H2,1H3.
What are the key properties of 5-[(2-adamantylamino)methyl]-2-methoxyphenol?
5-[(2-adamantylamino)methyl]-2-methoxyphenol has a molecular weight of 287.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-adamantylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 43221925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).