(5-bromo-6-methoxynaphthalen-2-yl)methanamine

C12H12BrNO — CID 18505319

IUPAC(5-bromo-6-methoxynaphthalen-2-yl)methanamine
SMILESCOc1ccc2cc(CN)ccc2c1Br
InChIInChI=1S/C12H12BrNO/c1-15-11-5-3-9-6-8(7-14)2-4-10(9)12(11)13/h2-6H,7,14H2,1H3
InChIKeyIBWCBOPJRLBMOK-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.07
Rot. Bonds2

About (5-bromo-6-methoxynaphthalen-2-yl)methanamine

(5-bromo-6-methoxynaphthalen-2-yl)methanamine (PubChem CID 18505319) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is (5-bromo-6-methoxynaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-6-methoxynaphthalen-2-yl)methanamine
PubChem CID18505319
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name(5-bromo-6-methoxynaphthalen-2-yl)methanamine
SMILESCOc1ccc2cc(CN)ccc2c1Br
InChIInChI=1S/C12H12BrNO/c1-15-11-5-3-9-6-8(7-14)2-4-10(9)12(11)13/h2-6H,7,14H2,1H3
InChIKeyIBWCBOPJRLBMOK-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-methoxynaphthalen-2-yl)methanamine?
The IUPAC name of (5-bromo-6-methoxynaphthalen-2-yl)methanamine (CID 18505319) is (5-bromo-6-methoxynaphthalen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-6-methoxynaphthalen-2-yl)methanamine?
The canonical SMILES for (5-bromo-6-methoxynaphthalen-2-yl)methanamine is COc1ccc2cc(CN)ccc2c1Br.
What is the InChIKey of (5-bromo-6-methoxynaphthalen-2-yl)methanamine?
The InChIKey is IBWCBOPJRLBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-15-11-5-3-9-6-8(7-14)2-4-10(9)12(11)13/h2-6H,7,14H2,1H3.
What are the key properties of (5-bromo-6-methoxynaphthalen-2-yl)methanamine?
(5-bromo-6-methoxynaphthalen-2-yl)methanamine has a molecular weight of 266.14 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-methoxynaphthalen-2-yl)methanamine is sourced from PubChem (CID 18505319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).