2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium

C21H25FNO+ — CID 8622165

IUPAC2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1
InChIInChI=1S/C21H24FNO/c22-18-3-1-15(2-4-18)20-6-5-19(24-20)12-23-21-16-8-13-7-14(10-16)11-17(21)9-13/h1-6,13-14,16-17,21,23H,7-12H2/p+1
InChIKeyOZIAWFGZMIWMLN-UHFFFAOYSA-O
MW326.43 g/mol
LogP3.97
Rot. Bonds4

About 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium

2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8622165) has the molecular formula C21H25FNO+ and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
PubChem CID8622165
Molecular FormulaC21H25FNO+
Molecular Weight326.43 g/mol
Exact Mass326.19
IUPAC Name2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
SMILESFc1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1
InChIInChI=1S/C21H24FNO/c22-18-3-1-15(2-4-18)20-6-5-19(24-20)12-23-21-16-8-13-7-14(10-16)11-17(21)9-13/h1-6,13-14,16-17,21,23H,7-12H2/p+1
InChIKeyOZIAWFGZMIWMLN-UHFFFAOYSA-O
XLogP3.97
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
N-(1,2-Diphenylethyl)-2-furanmethanamine
CID 3150631
N-cyclohexyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 7594453
1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine
CID 3541691
Benzyl-[1-(5-methyl-furan-2-YL)-but-3-enyl]-amine hydrochloride
CID 9549356
(3S,6S)-6-Benzhydryl-N-(furan-2-ylmethyl)tetrahydro-2Hpyran-3-amine
CID 52951976
1-piperidin-4-yl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine
CID 145982781
1-[5-(4-fluorophenyl)furan-2-yl]-N-(piperidin-4-ylmethyl)methanamine
CID 16004273
alpha-Benzyl-N-propylfurfurylamine
CID 18549
5-Methyl-N-(1-methyl-2-phenylethyl)-2-furanmethanamine
CID 211862
Tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium
CID 7425098
(5-Phenylfuran-2-yl)methyl-propan-2-ylazanium
CID 41494845

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium (CID 8622165) is 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium is Fc1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1.
What is the InChIKey of 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is OZIAWFGZMIWMLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24FNO/c22-18-3-1-15(2-4-18)20-6-5-19(24-20)12-23-21-16-8-13-7-14(10-16)11-17(21)9-13/h1-6,13-14,16-17,21,23H,7-12H2/p+1.
What are the key properties of 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 326.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8622165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).