N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine

C16H22BrNO — CID 104652520

IUPACN-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)o1
InChIInChI=1S/C16H22BrNO/c1-9(14-2-3-15(17)19-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h2-3,9-13,16,18H,4-8H2,1H3
InChIKeyINMPCQUKZGCNGW-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.52
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine

N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine (PubChem CID 104652520) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine
PubChem CID104652520
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)o1
InChIInChI=1S/C16H22BrNO/c1-9(14-2-3-15(17)19-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h2-3,9-13,16,18H,4-8H2,1H3
InChIKeyINMPCQUKZGCNGW-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromofuran-2-yl)ethyl]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

Related Compounds

N-(2-adamantyl)-5-bromofuran-2-carboxamide
CID 798489
N-(furan-2-ylmethyl)adamantan-1-amine
CID 5035176
N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 17392545
2-Adamantyl(2-furylmethyl)amine
CID 784580
rac-(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidine
CID 95566875
rac-(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine
CID 95566888
N-{[5-(4-bromophenyl)furan-2-yl]methyl}propan-2-amine
CID 12655811
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine
CID 4723449
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]adamantan-2-amine
CID 4723496
2-Adamantyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622055
2-Adamantyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622165
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222054

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine (CID 104652520) is N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine is CC(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine?
The InChIKey is INMPCQUKZGCNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-9(14-2-3-15(17)19-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h2-3,9-13,16,18H,4-8H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine?
N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine has a molecular weight of 324.26 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine is sourced from PubChem (CID 104652520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).