2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol

C17H19Br2NO — CID 63260856

IUPAC2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2NO/c1-12(16-8-7-14(18)10-17(16)19)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3
InChIKeyGXPJMTZPAXZRJC-UHFFFAOYSA-N
MW413.15 g/mol
LogP4.47
Rot. Bonds6

About 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol

2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 63260856) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID63260856
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2NO/c1-12(16-8-7-14(18)10-17(16)19)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3
InChIKeyGXPJMTZPAXZRJC-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.15
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 107860710
4-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]ethyl]benzene-1,3-diol
CID 63260759
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 104926128
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
[1-(2,4-dibromophenyl)-2-phenylethyl]hydrazine
CID 107948002
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol (CID 63260856) is 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol is CC(NC(CO)Cc1ccccc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is GXPJMTZPAXZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-12(16-8-7-14(18)10-17(16)19)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3.
What are the key properties of 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol?
2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 413.15 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).