N-(4-bromophenyl)adamantan-2-amine

C16H20BrN — CID 4660557

IUPACN-(4-bromophenyl)adamantan-2-amine
SMILESBrc1ccc(NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyLWJALJDRFBXHKX-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.69
Rot. Bonds2

About N-(4-bromophenyl)adamantan-2-amine

N-(4-bromophenyl)adamantan-2-amine (PubChem CID 4660557) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is N-(4-bromophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)adamantan-2-amine
PubChem CID4660557
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC NameN-(4-bromophenyl)adamantan-2-amine
SMILESBrc1ccc(NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyLWJALJDRFBXHKX-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)adamantan-2-amine?
The IUPAC name of N-(4-bromophenyl)adamantan-2-amine (CID 4660557) is N-(4-bromophenyl)adamantan-2-amine.
What is the SMILES notation for N-(4-bromophenyl)adamantan-2-amine?
The canonical SMILES for N-(4-bromophenyl)adamantan-2-amine is Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(4-bromophenyl)adamantan-2-amine?
The InChIKey is LWJALJDRFBXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2.
What are the key properties of N-(4-bromophenyl)adamantan-2-amine?
N-(4-bromophenyl)adamantan-2-amine has a molecular weight of 306.25 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)adamantan-2-amine is sourced from PubChem (CID 4660557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).