1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine

C12H18BrNO — CID 105007883

IUPAC1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)c1cccc(Br)c1C
InChIInChI=1S/C12H18BrNO/c1-4-15-8-12(14-3)10-6-5-7-11(13)9(10)2/h5-7,12,14H,4,8H2,1-3H3
InChIKeyPBLKFVRJSZOVAA-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.05
Rot. Bonds5

About 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine

1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine (PubChem CID 105007883) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine
PubChem CID105007883
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)c1cccc(Br)c1C
InChIInChI=1S/C12H18BrNO/c1-4-15-8-12(14-3)10-6-5-7-11(13)9(10)2/h5-7,12,14H,4,8H2,1-3H3
InChIKeyPBLKFVRJSZOVAA-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
CID 114979373
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
[1-(3-bromo-2-chlorophenyl)-2-ethoxyethyl]hydrazine
CID 105321283
1-(3-bromo-2-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849363
1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864882
1-(3-bromo-2-methylphenyl)-2-propoxyethanamine
CID 105008530
1-(2,3-dimethylphenyl)-2-(2-methoxyethoxy)-N-methylethanamine
CID 114032782
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
CID 105008942
1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
CID 107985181
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
[1-(3-bromo-2-methylphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283961

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine (CID 105007883) is 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine is CCOCC(NC)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine?
The InChIKey is PBLKFVRJSZOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-4-15-8-12(14-3)10-6-5-7-11(13)9(10)2/h5-7,12,14H,4,8H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine?
1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 105007883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).