1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium

C18H24F2NO+ — CID 7063679

IUPAC1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium
SMILESFC(F)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23F2NO/c19-17(20)22-16-3-1-12(2-4-16)11-21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15,17,21H,5-11H2/p+1
InChIKeyVIWLPYISTUWEGD-UHFFFAOYSA-O
MW308.39 g/mol
LogP3.32
Rot. Bonds5

About 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium

1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium (PubChem CID 7063679) has the molecular formula C18H24F2NO+ and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Name1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium
PubChem CID7063679
Molecular FormulaC18H24F2NO+
Molecular Weight308.39 g/mol
Exact Mass308.18
IUPAC Name1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium
SMILESFC(F)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23F2NO/c19-17(20)22-16-3-1-12(2-4-16)11-21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15,17,21H,5-11H2/p+1
InChIKeyVIWLPYISTUWEGD-UHFFFAOYSA-O
XLogP3.32
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-[[4-(difluoromethoxy)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 42007831
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[2-(1-adamantylsulfanyl)acetyl]-4-(difluoromethoxy)benzamide
CID 8513262
1-(difluoromethoxy)-4-prop-2-enylbenzene
CID 142914126
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74245813
6-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 134435302
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743145
5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687413
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3689491
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium?
The IUPAC name of 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium (CID 7063679) is 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium.
What is the SMILES notation for 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium?
The canonical SMILES for 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium is FC(F)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium?
The InChIKey is VIWLPYISTUWEGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23F2NO/c19-17(20)22-16-3-1-12(2-4-16)11-21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15,17,21H,5-11H2/p+1.
What are the key properties of 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium?
1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium has a molecular weight of 308.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 7063679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).