1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol

C16H19BrClNOS — CID 82776938

IUPAC1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCN(CCc1cccs1)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H19BrClNOS/c1-19(8-6-13-3-2-10-21-13)9-7-16(20)14-5-4-12(17)11-15(14)18/h2-5,10-11,16,20H,6-9H2,1H3
InChIKeyGSFXMEBHCUEVDL-UHFFFAOYSA-N
MW388.76 g/mol
LogP4.76
Rot. Bonds7

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

1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (PubChem CID 82776938) has the molecular formula C16H19BrClNOS and a molecular weight of 388.76 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
PubChem CID82776938
Molecular FormulaC16H19BrClNOS
Molecular Weight388.76 g/mol
Exact Mass387.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCN(CCc1cccs1)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H19BrClNOS/c1-19(8-6-13-3-2-10-21-13)9-7-16(20)14-5-4-12(17)11-15(14)18/h2-5,10-11,16,20H,6-9H2,1H3
InChIKeyGSFXMEBHCUEVDL-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
1-(4-bromo-2-chlorophenyl)-3-[(5-bromothiophen-3-yl)methyl-methylamino]propan-1-ol
CID 82777718
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
CID 82781389
1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (CID 82776938) is 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is CN(CCc1cccs1)CCC(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The InChIKey is GSFXMEBHCUEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNOS/c1-19(8-6-13-3-2-10-21-13)9-7-16(20)14-5-4-12(17)11-15(14)18/h2-5,10-11,16,20H,6-9H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol has a molecular weight of 388.76 g/mol, XLogP of 4.76, 7 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-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 82776938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).