1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol

C13H16BrClF3NO — CID 82781389

IUPAC1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1Cl)CCC(F)(F)F
InChIInChI=1S/C13H16BrClF3NO/c1-19(7-5-13(16,17)18)6-4-12(20)10-3-2-9(14)8-11(10)15/h2-3,8,12,20H,4-7H2,1H3
InChIKeyVFWWCYONFZZUSI-UHFFFAOYSA-N
MW374.63 g/mol
LogP4.41
Rot. Bonds6

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

1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol (PubChem CID 82781389) has the molecular formula C13H16BrClF3NO and a molecular weight of 374.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
PubChem CID82781389
Molecular FormulaC13H16BrClF3NO
Molecular Weight374.63 g/mol
Exact Mass373.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1Cl)CCC(F)(F)F
InChIInChI=1S/C13H16BrClF3NO/c1-19(7-5-13(16,17)18)6-4-12(20)10-3-2-9(14)8-11(10)15/h2-3,8,12,20H,4-7H2,1H3
InChIKeyVFWWCYONFZZUSI-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 82776938
1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol
CID 82777718
[1-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
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)-3-cyclopropylpropan-1-ol
CID 115810893
1-(5-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82074034
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82781390
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol (CID 82781389) is 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol is CN(CCC(O)c1ccc(Br)cc1Cl)CCC(F)(F)F.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
The InChIKey is VFWWCYONFZZUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClF3NO/c1-19(7-5-13(16,17)18)6-4-12(20)10-3-2-9(14)8-11(10)15/h2-3,8,12,20H,4-7H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol has a molecular weight of 374.63 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol is sourced from PubChem (CID 82781389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).