1-(3-bromophenyl)-2-methoxyethanamine

C9H12BrNO — CID 79016387

IUPAC1-(3-bromophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-12-6-9(11)7-3-2-4-8(10)5-7/h2-5,9H,6,11H2,1H3
InChIKeyOXIKOZKITYOZAS-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.10
Rot. Bonds3

About 1-(3-bromophenyl)-2-methoxyethanamine

1-(3-bromophenyl)-2-methoxyethanamine (PubChem CID 79016387) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-methoxyethanamine
PubChem CID79016387
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(3-bromophenyl)-2-methoxyethanamine
SMILESCOCC(N)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-12-6-9(11)7-3-2-4-8(10)5-7/h2-5,9H,6,11H2,1H3
InChIKeyOXIKOZKITYOZAS-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-methoxyethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-methoxyethanamine (CID 79016387) is 1-(3-bromophenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-methoxyethanamine is COCC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-methoxyethanamine?
The InChIKey is OXIKOZKITYOZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-12-6-9(11)7-3-2-4-8(10)5-7/h2-5,9H,6,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-methoxyethanamine?
1-(3-bromophenyl)-2-methoxyethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-methoxyethanamine is sourced from PubChem (CID 79016387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).