bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine

C210H192Br6Cl6F6N6O6 — CID 159127487

IUPACbis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(Br)ccc2cc1CN.Cc1cc2cc(Br)ccc2cc1O.Cc1cc2cc(Cl)ccc2cc1CN.Cc1cc2cc(Cl)ccc2cc1O.Cc1cc2cc(F)ccc2cc1CN.Cc1cc2cc(F)ccc2cc1O.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1CN.Cc1cc2ccc(Br)cc2cc1O.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1O.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1CN.Cc1cc2ccc(F)cc2cc1O
InChIInChI=1S/2C12H12BrN.2C12H11Br.2C12H12ClN.2C12H11Cl.2C12H12FN.2C12H11F.2C11H9BrO.2C11H9ClO.2C11H9FO/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;6*2-6,13H,1H3
InChIKeyKGLUQGZYKNJLPZ-UHFFFAOYSA-N
MW3702.01 g/mol
LogP62.83
Rot. Bonds6

About bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine

bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine (PubChem CID 159127487) has the molecular formula C210H192Br6Cl6F6N6O6 and a molecular weight of 3702.01 g/mol. Its IUPAC name is bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Namebis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine
PubChem CID159127487
Molecular FormulaC210H192Br6Cl6F6N6O6
Molecular Weight3702.01 g/mol
Exact Mass3690.80
IUPAC Namebis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(Br)ccc2cc1CN.Cc1cc2cc(Br)ccc2cc1O.Cc1cc2cc(Cl)ccc2cc1CN.Cc1cc2cc(Cl)ccc2cc1O.Cc1cc2cc(F)ccc2cc1CN.Cc1cc2cc(F)ccc2cc1O.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1CN.Cc1cc2ccc(Br)cc2cc1O.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1O.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1CN.Cc1cc2ccc(F)cc2cc1O
InChIInChI=1S/2C12H12BrN.2C12H11Br.2C12H12ClN.2C12H11Cl.2C12H12FN.2C12H11F.2C11H9BrO.2C11H9ClO.2C11H9FO/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;6*2-6,13H,1H3
InChIKeyKGLUQGZYKNJLPZ-UHFFFAOYSA-N
XLogP62.83
TPSA277.50 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003702.01
LogP ≤ 562.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The IUPAC name of bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine (CID 159127487) is bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine is Cc1cc2cc(Br)ccc2cc1CN.Cc1cc2cc(Br)ccc2cc1O.Cc1cc2cc(Cl)ccc2cc1CN.Cc1cc2cc(Cl)ccc2cc1O.Cc1cc2cc(F)ccc2cc1CN.Cc1cc2cc(F)ccc2cc1O.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1C.Cc1cc2ccc(Br)cc2cc1CN.Cc1cc2ccc(Br)cc2cc1O.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1C.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1O.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1C.Cc1cc2ccc(F)cc2cc1CN.Cc1cc2ccc(F)cc2cc1O.
What is the InChIKey of bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The InChIKey is KGLUQGZYKNJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12BrN.2C12H11Br.2C12H12ClN.2C12H11Cl.2C12H12FN.2C12H11F.2C11H9BrO.2C11H9ClO.2C11H9FO/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;2*1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13/h2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;2*2-6H,7,14H2,1H3;2*3-7H,1-2H3;6*2-6,13H,1H3.
What are the key properties of bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine?
bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine has a molecular weight of 3702.01 g/mol, XLogP of 62.83, 6 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-bromo-2,3-dimethylnaphthalene);6-bromo-3-methylnaphthalen-2-ol;7-bromo-3-methylnaphthalen-2-ol;(6-bromo-3-methylnaphthalen-2-yl)methanamine;(7-bromo-3-methylnaphthalen-2-yl)methanamine;bis(6-chloro-2,3-dimethylnaphthalene);6-chloro-3-methylnaphthalen-2-ol;7-chloro-3-methylnaphthalen-2-ol;(6-chloro-3-methylnaphthalen-2-yl)methanamine;(7-chloro-3-methylnaphthalen-2-yl)methanamine;bis(6-fluoro-2,3-dimethylnaphthalene);6-fluoro-3-methylnaphthalen-2-ol;7-fluoro-3-methylnaphthalen-2-ol;(6-fluoro-3-methylnaphthalen-2-yl)methanamine;(7-fluoro-3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 159127487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).