2-bromonaphthalene;naphthalen-2-amine

C20H16BrN — CID 173256216

IUPAC2-bromonaphthalene;naphthalen-2-amine
SMILESBrc1ccc2ccccc2c1.Nc1ccc2ccccc2c1
InChIInChI=1S/C10H7Br.C10H9N/c2*11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H;1-7H,11H2
InChIKeyYCSNXAUDZMWFPU-UHFFFAOYSA-N
MW350.26 g/mol
LogP6.02
Rot. Bonds

About 2-bromonaphthalene;naphthalen-2-amine

2-bromonaphthalene;naphthalen-2-amine (PubChem CID 173256216) has the molecular formula C20H16BrN and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-bromonaphthalene;naphthalen-2-amine.

Molecular Properties

Compound Name2-bromonaphthalene;naphthalen-2-amine
PubChem CID173256216
Molecular FormulaC20H16BrN
Molecular Weight350.26 g/mol
Exact Mass349.05
IUPAC Name2-bromonaphthalene;naphthalen-2-amine
SMILESBrc1ccc2ccccc2c1.Nc1ccc2ccccc2c1
InChIInChI=1S/C10H7Br.C10H9N/c2*11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H;1-7H,11H2
InChIKeyYCSNXAUDZMWFPU-UHFFFAOYSA-N
XLogP6.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-bromonaphthalene;naphthalen-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

Related Compounds

2-bromonaphthalene
CID 50940586
ethane;naphthalen-2-amine
CID 70389802
aniline;naphthalen-2-amine
CID 158733233
2-bromodibenzofuran;naphthalen-2-amine
CID 175083033
2,6-dibromonaphthalene
CID 640591
2-bromonaphthalene;phenol
CID 174920874
2-bromonaphthalene;sulfuryl dichloride
CID 174434762
6-bromophenanthren-3-amine
CID 163359562
anisole;naphthalen-2-amine
CID 159214665
naphthalen-1-amine;naphthalen-2-amine
CID 70377972
naphthalen-2-amine;phenylmethanamine
CID 174814496
tetracene-2,3-diamine
CID 101108854

Frequently Asked Questions

What is the IUPAC name of 2-bromonaphthalene;naphthalen-2-amine?
The IUPAC name of 2-bromonaphthalene;naphthalen-2-amine (CID 173256216) is 2-bromonaphthalene;naphthalen-2-amine.
What is the SMILES notation for 2-bromonaphthalene;naphthalen-2-amine?
The canonical SMILES for 2-bromonaphthalene;naphthalen-2-amine is Brc1ccc2ccccc2c1.Nc1ccc2ccccc2c1.
What is the InChIKey of 2-bromonaphthalene;naphthalen-2-amine?
The InChIKey is YCSNXAUDZMWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br.C10H9N/c2*11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H;1-7H,11H2.
What are the key properties of 2-bromonaphthalene;naphthalen-2-amine?
2-bromonaphthalene;naphthalen-2-amine has a molecular weight of 350.26 g/mol, XLogP of 6.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromonaphthalene;naphthalen-2-amine is sourced from PubChem (CID 173256216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).