(5-bromo-7-methoxy-1H-indol-2-yl)methanamine

C10H11BrN2O — CID 83901061

IUPAC(5-bromo-7-methoxy-1H-indol-2-yl)methanamine
SMILESCOc1cc(Br)cc2cc(CN)[nH]c12
InChIInChI=1S/C10H11BrN2O/c1-14-9-4-7(11)2-6-3-8(5-12)13-10(6)9/h2-4,13H,5,12H2,1H3
InChIKeyXAPOXWPRAQZMSL-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.40
Rot. Bonds2

About (5-bromo-7-methoxy-1H-indol-2-yl)methanamine

(5-bromo-7-methoxy-1H-indol-2-yl)methanamine (PubChem CID 83901061) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (5-bromo-7-methoxy-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-methoxy-1H-indol-2-yl)methanamine
PubChem CID83901061
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(5-bromo-7-methoxy-1H-indol-2-yl)methanamine
SMILESCOc1cc(Br)cc2cc(CN)[nH]c12
InChIInChI=1S/C10H11BrN2O/c1-14-9-4-7(11)2-6-3-8(5-12)13-10(6)9/h2-4,13H,5,12H2,1H3
InChIKeyXAPOXWPRAQZMSL-UHFFFAOYSA-N
XLogP2.40
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methoxy-1H-indol-2-yl)methanamine?
The IUPAC name of (5-bromo-7-methoxy-1H-indol-2-yl)methanamine (CID 83901061) is (5-bromo-7-methoxy-1H-indol-2-yl)methanamine.
What is the SMILES notation for (5-bromo-7-methoxy-1H-indol-2-yl)methanamine?
The canonical SMILES for (5-bromo-7-methoxy-1H-indol-2-yl)methanamine is COc1cc(Br)cc2cc(CN)[nH]c12.
What is the InChIKey of (5-bromo-7-methoxy-1H-indol-2-yl)methanamine?
The InChIKey is XAPOXWPRAQZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-14-9-4-7(11)2-6-3-8(5-12)13-10(6)9/h2-4,13H,5,12H2,1H3.
What are the key properties of (5-bromo-7-methoxy-1H-indol-2-yl)methanamine?
(5-bromo-7-methoxy-1H-indol-2-yl)methanamine has a molecular weight of 255.11 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methoxy-1H-indol-2-yl)methanamine is sourced from PubChem (CID 83901061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).