1-bromo-4-ethylbenzene;N-methylmethanamine

C10H16BrN — CID 143984882

IUPAC1-bromo-4-ethylbenzene;N-methylmethanamine
SMILESCCc1ccc(Br)cc1.CNC
InChIInChI=1S/C8H9Br.C2H7N/c1-2-7-3-5-8(9)6-4-7;1-3-2/h3-6H,2H2,1H3;3H,1-2H3
InChIKeyXOJAEXOLOOSUME-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.85
Rot. Bonds1

About 1-bromo-4-ethylbenzene;N-methylmethanamine

1-bromo-4-ethylbenzene;N-methylmethanamine (PubChem CID 143984882) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is 1-bromo-4-ethylbenzene;N-methylmethanamine.

Molecular Properties

Compound Name1-bromo-4-ethylbenzene;N-methylmethanamine
PubChem CID143984882
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name1-bromo-4-ethylbenzene;N-methylmethanamine
SMILESCCc1ccc(Br)cc1.CNC
InChIInChI=1S/C8H9Br.C2H7N/c1-2-7-3-5-8(9)6-4-7;1-3-2/h3-6H,2H2,1H3;3H,1-2H3
InChIKeyXOJAEXOLOOSUME-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-ethylbenzene
CID 15313
1-bromo-4-ethylbenzene;phenol
CID 174859623
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
ethylbenzene;N-methylmethanamine
CID 19063869
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
1,4-diethylbenzene;ethane;methane
CID 166131756
2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol
CID 79445511
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
CID 110823643
CID 11811178
CID 11811178
N-bromo-4-ethylaniline
CID 118307209

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethylbenzene;N-methylmethanamine?
The IUPAC name of 1-bromo-4-ethylbenzene;N-methylmethanamine (CID 143984882) is 1-bromo-4-ethylbenzene;N-methylmethanamine.
What is the SMILES notation for 1-bromo-4-ethylbenzene;N-methylmethanamine?
The canonical SMILES for 1-bromo-4-ethylbenzene;N-methylmethanamine is CCc1ccc(Br)cc1.CNC.
What is the InChIKey of 1-bromo-4-ethylbenzene;N-methylmethanamine?
The InChIKey is XOJAEXOLOOSUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br.C2H7N/c1-2-7-3-5-8(9)6-4-7;1-3-2/h3-6H,2H2,1H3;3H,1-2H3.
What are the key properties of 1-bromo-4-ethylbenzene;N-methylmethanamine?
1-bromo-4-ethylbenzene;N-methylmethanamine has a molecular weight of 230.15 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethylbenzene;N-methylmethanamine is sourced from PubChem (CID 143984882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).