N-(2-bromophenyl)adamantan-1-amine

C16H20BrN — CID 56593249

IUPACN-(2-bromophenyl)adamantan-1-amine
SMILESBrc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrN/c17-14-3-1-2-4-15(14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2
InChIKeyYIIWCLNBZZEOMN-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.83
Rot. Bonds2

About N-(2-bromophenyl)adamantan-1-amine

N-(2-bromophenyl)adamantan-1-amine (PubChem CID 56593249) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is N-(2-bromophenyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)adamantan-1-amine
PubChem CID56593249
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC NameN-(2-bromophenyl)adamantan-1-amine
SMILESBrc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrN/c17-14-3-1-2-4-15(14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2
InChIKeyYIIWCLNBZZEOMN-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)adamantan-1-amine?
The IUPAC name of N-(2-bromophenyl)adamantan-1-amine (CID 56593249) is N-(2-bromophenyl)adamantan-1-amine.
What is the SMILES notation for N-(2-bromophenyl)adamantan-1-amine?
The canonical SMILES for N-(2-bromophenyl)adamantan-1-amine is Brc1ccccc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-bromophenyl)adamantan-1-amine?
The InChIKey is YIIWCLNBZZEOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c17-14-3-1-2-4-15(14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2.
What are the key properties of N-(2-bromophenyl)adamantan-1-amine?
N-(2-bromophenyl)adamantan-1-amine has a molecular weight of 306.25 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)adamantan-1-amine is sourced from PubChem (CID 56593249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).