1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol

C13H19BrClNO2 — CID 104554767

IUPAC1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO2/c1-9(8-17)16(2)6-5-13(18)11-4-3-10(14)7-12(11)15/h3-4,7,9,13,17-18H,5-6,8H2,1-2H3
InChIKeyZERAIMMIHFRVKN-UHFFFAOYSA-N
MW336.66 g/mol
LogP2.84
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol (PubChem CID 104554767) has the molecular formula C13H19BrClNO2 and a molecular weight of 336.66 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
PubChem CID104554767
Molecular FormulaC13H19BrClNO2
Molecular Weight336.66 g/mol
Exact Mass335.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO2/c1-9(8-17)16(2)6-5-13(18)11-4-3-10(14)7-12(11)15/h3-4,7,9,13,17-18H,5-6,8H2,1-2H3
InChIKeyZERAIMMIHFRVKN-UHFFFAOYSA-N
XLogP2.84
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
CID 82781389
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 82778187
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
2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol (CID 104554767) is 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol is CC(CO)N(C)CCC(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The InChIKey is ZERAIMMIHFRVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO2/c1-9(8-17)16(2)6-5-13(18)11-4-3-10(14)7-12(11)15/h3-4,7,9,13,17-18H,5-6,8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol has a molecular weight of 336.66 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol is sourced from PubChem (CID 104554767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).