1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine

C9H12BrNO — CID 775466

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OC
InChIInChI=1S/C9H12BrNO/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6H2,1-2H3
InChIKeyULRBLFXZOFZHLD-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.18
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine

1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 775466) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
PubChem CID775466
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OC
InChIInChI=1S/C9H12BrNO/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6H2,1-2H3
InChIKeyULRBLFXZOFZHLD-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine (CID 775466) is 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine is CNCc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is ULRBLFXZOFZHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 775466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).