(4-bromo-2-methoxyphenyl)methanamine

C8H10BrNO — CID 22556940

IUPAC(4-bromo-2-methoxyphenyl)methanamine
SMILESCOc1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyGCDXWVWSBBYXKW-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.92
Rot. Bonds2

About (4-bromo-2-methoxyphenyl)methanamine

(4-bromo-2-methoxyphenyl)methanamine (PubChem CID 22556940) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)methanamine
PubChem CID22556940
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name(4-bromo-2-methoxyphenyl)methanamine
SMILESCOc1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyGCDXWVWSBBYXKW-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)methanamine (CID 22556940) is (4-bromo-2-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)methanamine is COc1cc(Br)ccc1CN.
What is the InChIKey of (4-bromo-2-methoxyphenyl)methanamine?
The InChIKey is GCDXWVWSBBYXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)methanamine?
(4-bromo-2-methoxyphenyl)methanamine has a molecular weight of 216.08 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)methanamine is sourced from PubChem (CID 22556940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).