1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine

C12H15BrClN — CID 105005522

IUPAC1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClN/c1-4-15-12(8(2)3)10-7-9(13)5-6-11(10)14/h5-7,12,15H,2,4H2,1,3H3
InChIKeyVKPQFJKIKCYQJF-UHFFFAOYSA-N
MW288.62 g/mol
LogP4.33
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine

1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 105005522) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID105005522
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClN/c1-4-15-12(8(2)3)10-7-9(13)5-6-11(10)14/h5-7,12,15H,2,4H2,1,3H3
InChIKeyVKPQFJKIKCYQJF-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005047
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005145
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008140
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105003781
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79177729
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 107968621
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine (CID 105005522) is 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is VKPQFJKIKCYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-4-15-12(8(2)3)10-7-9(13)5-6-11(10)14/h5-7,12,15H,2,4H2,1,3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 288.62 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).