1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine

C17H19Br2N — CID 115844387

IUPAC1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H19Br2N/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyKDKFOALUXAXOEM-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.58
Rot. Bonds4

About 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine

1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115844387) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115844387
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H19Br2N/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyKDKFOALUXAXOEM-UHFFFAOYSA-N
XLogP5.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844346
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
[1-(2,4-dibromophenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 107948137
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
CID 171235024

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 115844387) is 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CC(N)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is KDKFOALUXAXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115844387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).