N-(2-bromo-4-fluorophenyl)adamantan-2-amine

C16H19BrFN — CID 43621687

IUPACN-(2-bromo-4-fluorophenyl)adamantan-2-amine
SMILESFc1ccc(NC2C3CC4CC(C3)CC2C4)c(Br)c1
InChIInChI=1S/C16H19BrFN/c17-14-8-13(18)1-2-15(14)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2
InChIKeyJCICCKTYPBQTIU-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.82
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)adamantan-2-amine

N-(2-bromo-4-fluorophenyl)adamantan-2-amine (PubChem CID 43621687) has the molecular formula C16H19BrFN and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)adamantan-2-amine
PubChem CID43621687
Molecular FormulaC16H19BrFN
Molecular Weight324.24 g/mol
Exact Mass323.07
IUPAC NameN-(2-bromo-4-fluorophenyl)adamantan-2-amine
SMILESFc1ccc(NC2C3CC4CC(C3)CC2C4)c(Br)c1
InChIInChI=1S/C16H19BrFN/c17-14-8-13(18)1-2-15(14)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2
InChIKeyJCICCKTYPBQTIU-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)adamantan-2-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)adamantan-2-amine (CID 43621687) is N-(2-bromo-4-fluorophenyl)adamantan-2-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)adamantan-2-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)adamantan-2-amine is Fc1ccc(NC2C3CC4CC(C3)CC2C4)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)adamantan-2-amine?
The InChIKey is JCICCKTYPBQTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN/c17-14-8-13(18)1-2-15(14)19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16,19H,3-7H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)adamantan-2-amine?
N-(2-bromo-4-fluorophenyl)adamantan-2-amine has a molecular weight of 324.24 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)adamantan-2-amine is sourced from PubChem (CID 43621687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).