N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine

C21H25NO — CID 4723399

IUPACN-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine
SMILESc1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1
InChIInChI=1S/C21H25NO/c1-2-4-16(5-3-1)20-7-6-19(23-20)13-22-21-17-9-14-8-15(11-17)12-18(21)10-14/h1-7,14-15,17-18,21-22H,8-13H2
InChIKeyXLBLRTDIBHNWTF-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.86
Rot. Bonds4

About N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine

N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine (PubChem CID 4723399) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine
PubChem CID4723399
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine
SMILESc1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1
InChIInChI=1S/C21H25NO/c1-2-4-16(5-3-1)20-7-6-19(23-20)13-22-21-17-9-14-8-15(11-17)12-18(21)10-14/h1-7,14-15,17-18,21-22H,8-13H2
InChIKeyXLBLRTDIBHNWTF-UHFFFAOYSA-N
XLogP4.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine?
The IUPAC name of N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine (CID 4723399) is N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine.
What is the SMILES notation for N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine?
The canonical SMILES for N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine is c1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1.
What is the InChIKey of N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine?
The InChIKey is XLBLRTDIBHNWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-4-16(5-3-1)20-7-6-19(23-20)13-22-21-17-9-14-8-15(11-17)12-18(21)10-14/h1-7,14-15,17-18,21-22H,8-13H2.
What are the key properties of N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine?
N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine has a molecular weight of 307.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine is sourced from PubChem (CID 4723399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).