3-bromo-2-methylnaphthalen-1-amine

C11H10BrN — CID 170568241

IUPAC3-bromo-2-methylnaphthalen-1-amine
SMILESCc1c(Br)cc2ccccc2c1N
InChIInChI=1S/C11H10BrN/c1-7-10(12)6-8-4-2-3-5-9(8)11(7)13/h2-6H,13H2,1H3
InChIKeyXOHLUOYUPPJNTI-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.49
Rot. Bonds

About 3-bromo-2-methylnaphthalen-1-amine

3-bromo-2-methylnaphthalen-1-amine (PubChem CID 170568241) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-bromo-2-methylnaphthalen-1-amine.

Molecular Properties

Compound Name3-bromo-2-methylnaphthalen-1-amine
PubChem CID170568241
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name3-bromo-2-methylnaphthalen-1-amine
SMILESCc1c(Br)cc2ccccc2c1N
InChIInChI=1S/C11H10BrN/c1-7-10(12)6-8-4-2-3-5-9(8)11(7)13/h2-6H,13H2,1H3
InChIKeyXOHLUOYUPPJNTI-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromonaphthalene-1,2-diamine
CID 68737898
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
3-bromo-2-methoxy-1-methylnaphthalene
CID 97036456
2-bromonaphthalen-1-amine
CID 10889478
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
3-bromo-2-(methoxymethoxy)-1-methylnaphthalene
CID 135380428
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine
CID 68740341
3-bromo-1-methylnaphthalene
CID 18673607
1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylnaphthalen-1-amine?
The IUPAC name of 3-bromo-2-methylnaphthalen-1-amine (CID 170568241) is 3-bromo-2-methylnaphthalen-1-amine.
What is the SMILES notation for 3-bromo-2-methylnaphthalen-1-amine?
The canonical SMILES for 3-bromo-2-methylnaphthalen-1-amine is Cc1c(Br)cc2ccccc2c1N.
What is the InChIKey of 3-bromo-2-methylnaphthalen-1-amine?
The InChIKey is XOHLUOYUPPJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-7-10(12)6-8-4-2-3-5-9(8)11(7)13/h2-6H,13H2,1H3.
What are the key properties of 3-bromo-2-methylnaphthalen-1-amine?
3-bromo-2-methylnaphthalen-1-amine has a molecular weight of 236.11 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylnaphthalen-1-amine is sourced from PubChem (CID 170568241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).