N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine

C15H14Br3N — CID 55191985

IUPACN-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br3N/c1-10(14-6-5-13(17)8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,10,19H,9H2,1H3
InChIKeyBDWGBHCMQYOBCQ-UHFFFAOYSA-N
MW448.00 g/mol
LogP5.82
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine

N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine (PubChem CID 55191985) has the molecular formula C15H14Br3N and a molecular weight of 448.00 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
PubChem CID55191985
Molecular FormulaC15H14Br3N
Molecular Weight448.00 g/mol
Exact Mass444.87
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br3N/c1-10(14-6-5-13(17)8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,10,19H,9H2,1H3
InChIKeyBDWGBHCMQYOBCQ-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.00
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784
1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 22483194
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82774626
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 60781421
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine (CID 55191985) is N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine is CC(NCc1cccc(Br)c1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is BDWGBHCMQYOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3N/c1-10(14-6-5-13(17)8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine has a molecular weight of 448.00 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 55191985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).