3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol

C21H23Br2NO2 — CID 17216905

IUPAC3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1ccc(-c4ccc(Br)cc4Br)o1)(C3)C2
InChIInChI=1S/C21H23Br2NO2/c22-15-1-3-17(18(23)6-15)19-4-2-16(26-19)11-24-20-7-13-5-14(8-20)10-21(25,9-13)12-20/h1-4,6,13-14,24-25H,5,7-12H2
InChIKeyJIHVBIJXQNBMCF-UHFFFAOYSA-N
MW481.23 g/mol
LogP5.64
Rot. Bonds4

About 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol

3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol (PubChem CID 17216905) has the molecular formula C21H23Br2NO2 and a molecular weight of 481.23 g/mol. Its IUPAC name is 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol.

Molecular Properties

Compound Name3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol
PubChem CID17216905
Molecular FormulaC21H23Br2NO2
Molecular Weight481.23 g/mol
Exact Mass479.01
IUPAC Name3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1ccc(-c4ccc(Br)cc4Br)o1)(C3)C2
InChIInChI=1S/C21H23Br2NO2/c22-15-1-3-17(18(23)6-15)19-4-2-16(26-19)11-24-20-7-13-5-14(8-20)10-21(25,9-13)12-20/h1-4,6,13-14,24-25H,5,7-12H2
InChIKeyJIHVBIJXQNBMCF-UHFFFAOYSA-N
XLogP5.64
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.23
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol 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

3-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]adamantan-1-ol
CID 17216821
3-[[5-(4-bromophenyl)furan-2-yl]methylamino]adamantan-1-ol
CID 17216765
3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol
CID 17216751
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 17056154
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
CID 66527849
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 17213116
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17213093
3-[(2,6-dichlorophenyl)methylamino]adamantan-1-ol
CID 17216509
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213031

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol?
The IUPAC name of 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol (CID 17216905) is 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol.
What is the SMILES notation for 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol?
The canonical SMILES for 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol is OC12CC3CC(C1)CC(NCc1ccc(-c4ccc(Br)cc4Br)o1)(C3)C2.
What is the InChIKey of 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol?
The InChIKey is JIHVBIJXQNBMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Br2NO2/c22-15-1-3-17(18(23)6-15)19-4-2-16(26-19)11-24-20-7-13-5-14(8-20)10-21(25,9-13)12-20/h1-4,6,13-14,24-25H,5,7-12H2.
What are the key properties of 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol?
3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol has a molecular weight of 481.23 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]adamantan-1-ol is sourced from PubChem (CID 17216905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).