6-bromo-2-methoxynaphthalen-1-amine

C11H10BrNO — CID 54370275

IUPAC6-bromo-2-methoxynaphthalen-1-amine
SMILESCOc1ccc2cc(Br)ccc2c1N
InChIInChI=1S/C11H10BrNO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,13H2,1H3
InChIKeyUSSBCQUPXPVJCB-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.19
Rot. Bonds1

About 6-bromo-2-methoxynaphthalen-1-amine

6-bromo-2-methoxynaphthalen-1-amine (PubChem CID 54370275) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 6-bromo-2-methoxynaphthalen-1-amine.

Molecular Properties

Compound Name6-bromo-2-methoxynaphthalen-1-amine
PubChem CID54370275
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name6-bromo-2-methoxynaphthalen-1-amine
SMILESCOc1ccc2cc(Br)ccc2c1N
InChIInChI=1S/C11H10BrNO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,13H2,1H3
InChIKeyUSSBCQUPXPVJCB-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxynaphthalen-1-amine?
The IUPAC name of 6-bromo-2-methoxynaphthalen-1-amine (CID 54370275) is 6-bromo-2-methoxynaphthalen-1-amine.
What is the SMILES notation for 6-bromo-2-methoxynaphthalen-1-amine?
The canonical SMILES for 6-bromo-2-methoxynaphthalen-1-amine is COc1ccc2cc(Br)ccc2c1N.
What is the InChIKey of 6-bromo-2-methoxynaphthalen-1-amine?
The InChIKey is USSBCQUPXPVJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,13H2,1H3.
What are the key properties of 6-bromo-2-methoxynaphthalen-1-amine?
6-bromo-2-methoxynaphthalen-1-amine has a molecular weight of 252.11 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxynaphthalen-1-amine is sourced from PubChem (CID 54370275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).