1-(4-bromo-2-methoxyphenyl)ethanamine

C9H12BrNO — CID 18699242

IUPAC1-(4-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(C)N
InChIInChI=1S/C9H12BrNO/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-6H,11H2,1-2H3
InChIKeyYNTNFAMPGFYIOW-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-bromo-2-methoxyphenyl)ethanamine

1-(4-bromo-2-methoxyphenyl)ethanamine (PubChem CID 18699242) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)ethanamine
PubChem CID18699242
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(4-bromo-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(C)N
InChIInChI=1S/C9H12BrNO/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-6H,11H2,1-2H3
InChIKeyYNTNFAMPGFYIOW-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)ethanamine (CID 18699242) is 1-(4-bromo-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)ethanamine is COc1cc(Br)ccc1C(C)N.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)ethanamine?
The InChIKey is YNTNFAMPGFYIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-6H,11H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)ethanamine?
1-(4-bromo-2-methoxyphenyl)ethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 18699242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).