1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine

C10H13BrClNO — CID 105008942

IUPAC1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1cccc(Br)c1Cl
InChIInChI=1S/C10H13BrClNO/c1-13-9(6-14-2)7-4-3-5-8(11)10(7)12/h3-5,9,13H,6H2,1-2H3
InChIKeyWDAYBKDEMUOQAI-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine

1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine (PubChem CID 105008942) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
PubChem CID105008942
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1cccc(Br)c1Cl
InChIInChI=1S/C10H13BrClNO/c1-13-9(6-14-2)7-4-3-5-8(11)10(7)12/h3-5,9,13H,6H2,1-2H3
InChIKeyWDAYBKDEMUOQAI-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055045
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
1-(3-bromo-2-chlorophenyl)-N-methylpent-3-yn-1-amine
CID 115819876
1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864754
[1-(3-bromo-2-chlorophenyl)-2-ethoxyethyl]hydrazine
CID 105321283
1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 106648190
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997166
1-(3-bromo-2-chlorophenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044258
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996334
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine (CID 105008942) is 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine is CNC(COC)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine?
The InChIKey is WDAYBKDEMUOQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-13-9(6-14-2)7-4-3-5-8(11)10(7)12/h3-5,9,13H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine?
1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine has a molecular weight of 278.58 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 105008942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).