3-bromonaphthalene-1,2-diamine

C10H9BrN2 — CID 68737898

IUPAC3-bromonaphthalene-1,2-diamine
SMILESNc1c(Br)cc2ccccc2c1N
InChIInChI=1S/C10H9BrN2/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H,12-13H2
InChIKeyMXUOAFKKVIXUSW-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.77
Rot. Bonds

About 3-bromonaphthalene-1,2-diamine

3-bromonaphthalene-1,2-diamine (PubChem CID 68737898) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 3-bromonaphthalene-1,2-diamine.

Molecular Properties

Compound Name3-bromonaphthalene-1,2-diamine
PubChem CID68737898
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name3-bromonaphthalene-1,2-diamine
SMILESNc1c(Br)cc2ccccc2c1N
InChIInChI=1S/C10H9BrN2/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H,12-13H2
InChIKeyMXUOAFKKVIXUSW-UHFFFAOYSA-N
XLogP2.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-methylnaphthalen-1-amine
CID 170568241
2-bromonaphthalen-1-amine
CID 10889478
[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine
CID 68740341
3-bromonaphthalene-1-sulfonamide
CID 155937826
1-bromoisoquinolin-2-ium-3-amine
CID 6931780
naphtho[1,2-b]phenanthrene
CID 5889
benzo[g]quinolin-10-amine
CID 23616349
3-bromo-2-chlorophenanthrene
CID 166845355
phenanthren-9-amine
CID 13695
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
3-bromo-2-methoxy-1-methylnaphthalene
CID 97036456
2-aminonaphthalene-1,3-diol
CID 118669960

Frequently Asked Questions

What is the IUPAC name of 3-bromonaphthalene-1,2-diamine?
The IUPAC name of 3-bromonaphthalene-1,2-diamine (CID 68737898) is 3-bromonaphthalene-1,2-diamine.
What is the SMILES notation for 3-bromonaphthalene-1,2-diamine?
The canonical SMILES for 3-bromonaphthalene-1,2-diamine is Nc1c(Br)cc2ccccc2c1N.
What is the InChIKey of 3-bromonaphthalene-1,2-diamine?
The InChIKey is MXUOAFKKVIXUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H,12-13H2.
What are the key properties of 3-bromonaphthalene-1,2-diamine?
3-bromonaphthalene-1,2-diamine has a molecular weight of 237.10 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromonaphthalene-1,2-diamine is sourced from PubChem (CID 68737898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).