1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol

C16H26BrClN2O — CID 82777460

IUPAC1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(Br)cc1Cl)CCN(C)C
InChIInChI=1S/C16H26BrClN2O/c1-4-8-20(11-10-19(2)3)9-7-16(21)14-6-5-13(17)12-15(14)18/h5-6,12,16,21H,4,7-11H2,1-3H3
InChIKeyQRFWXTKCMFKGEM-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.80
Rot. Bonds9

About 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol (PubChem CID 82777460) has the molecular formula C16H26BrClN2O and a molecular weight of 377.75 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
PubChem CID82777460
Molecular FormulaC16H26BrClN2O
Molecular Weight377.75 g/mol
Exact Mass376.09
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
SMILESCCCN(CCC(O)c1ccc(Br)cc1Cl)CCN(C)C
InChIInChI=1S/C16H26BrClN2O/c1-4-8-20(11-10-19(2)3)9-7-16(21)14-6-5-13(17)12-15(14)18/h5-6,12,16,21H,4,7-11H2,1-3H3
InChIKeyQRFWXTKCMFKGEM-UHFFFAOYSA-N
XLogP3.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
CID 82781389
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol
CID 82777718
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82781390
1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 82776938
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
2-[[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 82778830
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol (CID 82777460) is 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol is CCCN(CCC(O)c1ccc(Br)cc1Cl)CCN(C)C.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol?
The InChIKey is QRFWXTKCMFKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrClN2O/c1-4-8-20(11-10-19(2)3)9-7-16(21)14-6-5-13(17)12-15(14)18/h5-6,12,16,21H,4,7-11H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol has a molecular weight of 377.75 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol is sourced from PubChem (CID 82777460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).