1-adamantyl-[(2-hydroxyphenyl)methyl]azanium

C17H24NO+ — CID 7471163

IUPAC1-adamantyl-[(2-hydroxyphenyl)methyl]azanium
SMILESOc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NO/c19-16-4-2-1-3-15(16)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,18-19H,5-11H2/p+1
InChIKeyFAQWQPHKRJDQFT-UHFFFAOYSA-O
MW258.38 g/mol
LogP2.42
Rot. Bonds3

About 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium

1-adamantyl-[(2-hydroxyphenyl)methyl]azanium (PubChem CID 7471163) has the molecular formula C17H24NO+ and a molecular weight of 258.38 g/mol. Its IUPAC name is 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium.

Molecular Properties

Compound Name1-adamantyl-[(2-hydroxyphenyl)methyl]azanium
PubChem CID7471163
Molecular FormulaC17H24NO+
Molecular Weight258.38 g/mol
Exact Mass258.19
IUPAC Name1-adamantyl-[(2-hydroxyphenyl)methyl]azanium
SMILESOc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NO/c19-16-4-2-1-3-15(16)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,18-19H,5-11H2/p+1
InChIKeyFAQWQPHKRJDQFT-UHFFFAOYSA-O
XLogP2.42
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl)methyl-[[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]azanium
CID 7375754
(2-hydroxyphenyl)methyl-methylazanium
CID 36689670
2-[[[(2R)-1-(1-adamantyl)propan-2-yl]amino]methyl]phenol
CID 7462640
2-(1-adamantyl)benzene-1,3-diol
CID 22754692
1-adamantyl-[(4-nitrophenyl)methyl]azanium
CID 7302684
1-adamantyl-[(3-nitrophenyl)methyl]azanium
CID 7079764
1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium
CID 7063679
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
1-adamantyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
CID 9032231
1-adamantyl-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]azanium
CID 7614296
2-(hydroxymethyl)phenol;methane
CID 157439231
N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride
CID 175237444

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium?
The IUPAC name of 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium (CID 7471163) is 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium.
What is the SMILES notation for 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium?
The canonical SMILES for 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium is Oc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium?
The InChIKey is FAQWQPHKRJDQFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23NO/c19-16-4-2-1-3-15(16)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,18-19H,5-11H2/p+1.
What are the key properties of 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium?
1-adamantyl-[(2-hydroxyphenyl)methyl]azanium has a molecular weight of 258.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(2-hydroxyphenyl)methyl]azanium is sourced from PubChem (CID 7471163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).