2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol

C16H26BrClN2O — CID 82775218

IUPAC2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
SMILESCCCN(CCO)CCC(NCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H26BrClN2O/c1-3-8-20(10-11-21)9-7-16(19-4-2)14-6-5-13(17)12-15(14)18/h5-6,12,16,19,21H,3-4,7-11H2,1-2H3
InChIKeyGIAYJAFDWGVAKL-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.85
Rot. Bonds10

About 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol

2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol (PubChem CID 82775218) has the molecular formula C16H26BrClN2O and a molecular weight of 377.75 g/mol. Its IUPAC name is 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
PubChem CID82775218
Molecular FormulaC16H26BrClN2O
Molecular Weight377.75 g/mol
Exact Mass376.09
IUPAC Name2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
SMILESCCCN(CCO)CCC(NCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H26BrClN2O/c1-3-8-20(10-11-21)9-7-16(19-4-2)14-6-5-13(17)12-15(14)18/h5-6,12,16,19,21H,3-4,7-11H2,1-2H3
InChIKeyGIAYJAFDWGVAKL-UHFFFAOYSA-N
XLogP3.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol with MolForge

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 82775892
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
2-[[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 82778830
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105003781
1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
CID 82776155

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
The IUPAC name of 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol (CID 82775218) is 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
The canonical SMILES for 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol is CCCN(CCO)CCC(NCC)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
The InChIKey is GIAYJAFDWGVAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrClN2O/c1-3-8-20(10-11-21)9-7-16(19-4-2)14-6-5-13(17)12-15(14)18/h5-6,12,16,19,21H,3-4,7-11H2,1-2H3.
What are the key properties of 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol has a molecular weight of 377.75 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol is sourced from PubChem (CID 82775218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).