2-(4-bromophenyl)adamantan-1-amine

C16H20BrN — CID 10018007

IUPAC2-(4-bromophenyl)adamantan-1-amine
SMILESNC12CC3CC(CC(C3)C1c1ccc(Br)cc1)C2
InChIInChI=1S/C16H20BrN/c17-14-3-1-12(2-4-14)15-13-6-10-5-11(7-13)9-16(15,18)8-10/h1-4,10-11,13,15H,5-9,18H2
InChIKeyZFVSXPGKFBWSTI-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.07
Rot. Bonds1

About 2-(4-bromophenyl)adamantan-1-amine

2-(4-bromophenyl)adamantan-1-amine (PubChem CID 10018007) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)adamantan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)adamantan-1-amine
PubChem CID10018007
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name2-(4-bromophenyl)adamantan-1-amine
SMILESNC12CC3CC(CC(C3)C1c1ccc(Br)cc1)C2
InChIInChI=1S/C16H20BrN/c17-14-3-1-12(2-4-14)15-13-6-10-5-11(7-13)9-16(15,18)8-10/h1-4,10-11,13,15H,5-9,18H2
InChIKeyZFVSXPGKFBWSTI-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)adamantan-1-amine?
The IUPAC name of 2-(4-bromophenyl)adamantan-1-amine (CID 10018007) is 2-(4-bromophenyl)adamantan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)adamantan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)adamantan-1-amine is NC12CC3CC(CC(C3)C1c1ccc(Br)cc1)C2.
What is the InChIKey of 2-(4-bromophenyl)adamantan-1-amine?
The InChIKey is ZFVSXPGKFBWSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c17-14-3-1-12(2-4-14)15-13-6-10-5-11(7-13)9-16(15,18)8-10/h1-4,10-11,13,15H,5-9,18H2.
What are the key properties of 2-(4-bromophenyl)adamantan-1-amine?
2-(4-bromophenyl)adamantan-1-amine has a molecular weight of 306.25 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)adamantan-1-amine is sourced from PubChem (CID 10018007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).