3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol

C21H25NO2 — CID 17216751

IUPAC3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1ccc(-c4ccccc4)o1)(C3)C2
InChIInChI=1S/C21H25NO2/c23-21-11-15-8-16(12-21)10-20(9-15,14-21)22-13-18-6-7-19(24-18)17-4-2-1-3-5-17/h1-7,15-16,22-23H,8-14H2
InChIKeyHOTHVADYZUVNEY-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.12
Rot. Bonds4

About 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol

3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol (PubChem CID 17216751) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol.

Molecular Properties

Compound Name3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol
PubChem CID17216751
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1ccc(-c4ccccc4)o1)(C3)C2
InChIInChI=1S/C21H25NO2/c23-21-11-15-8-16(12-21)10-20(9-15,14-21)22-13-18-6-7-19(24-18)17-4-2-1-3-5-17/h1-7,15-16,22-23H,8-14H2
InChIKeyHOTHVADYZUVNEY-UHFFFAOYSA-N
XLogP4.12
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(4-bromophenyl)furan-2-yl]methylamino]adamantan-1-ol
CID 17216765
3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol
CID 17216905
3-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]adamantan-1-ol
CID 17216821
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
CID 4723694
(5R,7R)-3-[(2-chlorophenyl)methylamino]adamantan-1-ol
CID 98296417
3-[(2,6-dichlorophenyl)methylamino]adamantan-1-ol
CID 17216509
(1S)-1-(1-adamantyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 8621893
N-[(5-phenylfuran-2-yl)methyl]adamantan-2-amine
CID 4723399
N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine
CID 118215691
(1S)-1-[4-[5-[[[(3S,5R)-3,5-dimethyl-1-adamantyl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8638925
2-methyl-N-[(5-phenylfuran-2-yl)methyl]cyclopropan-1-amine
CID 119122257
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)adamantan-1-ol;hydrochloride
CID 17216828

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol?
The IUPAC name of 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol (CID 17216751) is 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol.
What is the SMILES notation for 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol?
The canonical SMILES for 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol is OC12CC3CC(C1)CC(NCc1ccc(-c4ccccc4)o1)(C3)C2.
What is the InChIKey of 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol?
The InChIKey is HOTHVADYZUVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21-11-15-8-16(12-21)10-20(9-15,14-21)22-13-18-6-7-19(24-18)17-4-2-1-3-5-17/h1-7,15-16,22-23H,8-14H2.
What are the key properties of 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol?
3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol has a molecular weight of 323.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol is sourced from PubChem (CID 17216751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).