1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine

C11H16BrNO — CID 79575057

IUPAC1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-13-11(8-14-2)9-5-4-6-10(12)7-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyGBXLKURDCZILLN-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.75
Rot. Bonds5

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

1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine (PubChem CID 79575057) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
PubChem CID79575057
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-13-11(8-14-2)9-5-4-6-10(12)7-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyGBXLKURDCZILLN-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
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5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
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1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine (CID 79575057) is 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine is CCNC(COC)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is GBXLKURDCZILLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-13-11(8-14-2)9-5-4-6-10(12)7-9/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 79575057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).