N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine

C21H24FNO — CID 4723496

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine
SMILESFc1ccc(-c2ccc(CNC3C4CC5CC(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
InChIKeyOZIAWFGZMIWMLN-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.00
Rot. Bonds4

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine (PubChem CID 4723496) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine
PubChem CID4723496
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine
SMILESFc1ccc(-c2ccc(CNC3C4CC5CC(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
InChIKeyOZIAWFGZMIWMLN-UHFFFAOYSA-N
XLogP5.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine (CID 4723496) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine is Fc1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine?
The InChIKey is OZIAWFGZMIWMLN-UHFFFAOYSA-N. 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.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine has a molecular weight of 325.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine is sourced from PubChem (CID 4723496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).