N-(3-bromo-2-methylphenyl)adamantan-2-amine

C17H22BrN — CID 107630265

IUPACN-(3-bromo-2-methylphenyl)adamantan-2-amine
SMILESCc1c(Br)cccc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22BrN/c1-10-15(18)3-2-4-16(10)19-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,19H,5-9H2,1H3
InChIKeyOZEIZDXPOZUAPK-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.99
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)adamantan-2-amine

N-(3-bromo-2-methylphenyl)adamantan-2-amine (PubChem CID 107630265) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)adamantan-2-amine
PubChem CID107630265
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC NameN-(3-bromo-2-methylphenyl)adamantan-2-amine
SMILESCc1c(Br)cccc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22BrN/c1-10-15(18)3-2-4-16(10)19-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,19H,5-9H2,1H3
InChIKeyOZEIZDXPOZUAPK-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-bromo-2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)adamantan-2-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)adamantan-2-amine (CID 107630265) is N-(3-bromo-2-methylphenyl)adamantan-2-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)adamantan-2-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)adamantan-2-amine is Cc1c(Br)cccc1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3-bromo-2-methylphenyl)adamantan-2-amine?
The InChIKey is OZEIZDXPOZUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c1-10-15(18)3-2-4-16(10)19-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,19H,5-9H2,1H3.
What are the key properties of N-(3-bromo-2-methylphenyl)adamantan-2-amine?
N-(3-bromo-2-methylphenyl)adamantan-2-amine has a molecular weight of 320.27 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)adamantan-2-amine is sourced from PubChem (CID 107630265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).