1-bromo-2,3-dimethylbenzene;N-ethylethanamine

C12H20BrN — CID 143866521

IUPAC1-bromo-2,3-dimethylbenzene;N-ethylethanamine
SMILESCCNCC.Cc1cccc(Br)c1C
InChIInChI=1S/C8H9Br.C4H11N/c1-6-4-3-5-8(9)7(6)2;1-3-5-4-2/h3-5H,1-2H3;5H,3-4H2,1-2H3
InChIKeyIILBJMVIBXDETF-UHFFFAOYSA-N
MW258.20 g/mol
LogP3.68
Rot. Bonds2

About 1-bromo-2,3-dimethylbenzene;N-ethylethanamine

1-bromo-2,3-dimethylbenzene;N-ethylethanamine (PubChem CID 143866521) has the molecular formula C12H20BrN and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-bromo-2,3-dimethylbenzene;N-ethylethanamine.

Molecular Properties

Compound Name1-bromo-2,3-dimethylbenzene;N-ethylethanamine
PubChem CID143866521
Molecular FormulaC12H20BrN
Molecular Weight258.20 g/mol
Exact Mass257.08
IUPAC Name1-bromo-2,3-dimethylbenzene;N-ethylethanamine
SMILESCCNCC.Cc1cccc(Br)c1C
InChIInChI=1S/C8H9Br.C4H11N/c1-6-4-3-5-8(9)7(6)2;1-3-5-4-2/h3-5H,1-2H3;5H,3-4H2,1-2H3
InChIKeyIILBJMVIBXDETF-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143344358
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CID 54068667
hexane;1,2,3-trimethylbenzene
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potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
3-(2,3-dimethylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 81016661
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide
CID 170622467
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
N-[[1-(3-bromo-2-methylphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204569

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dimethylbenzene;N-ethylethanamine?
The IUPAC name of 1-bromo-2,3-dimethylbenzene;N-ethylethanamine (CID 143866521) is 1-bromo-2,3-dimethylbenzene;N-ethylethanamine.
What is the SMILES notation for 1-bromo-2,3-dimethylbenzene;N-ethylethanamine?
The canonical SMILES for 1-bromo-2,3-dimethylbenzene;N-ethylethanamine is CCNCC.Cc1cccc(Br)c1C.
What is the InChIKey of 1-bromo-2,3-dimethylbenzene;N-ethylethanamine?
The InChIKey is IILBJMVIBXDETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br.C4H11N/c1-6-4-3-5-8(9)7(6)2;1-3-5-4-2/h3-5H,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of 1-bromo-2,3-dimethylbenzene;N-ethylethanamine?
1-bromo-2,3-dimethylbenzene;N-ethylethanamine has a molecular weight of 258.20 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dimethylbenzene;N-ethylethanamine is sourced from PubChem (CID 143866521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).