1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol

C16H20BrNOS — CID 82970659

IUPAC1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C16H20BrNOS/c1-11(9-14-5-4-8-20-14)18(3)16-7-6-13(17)10-15(16)12(2)19/h4-8,10-12,19H,9H2,1-3H3
InChIKeyHLRPFPPPICAADT-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.63
Rot. Bonds5

About 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol

1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol (PubChem CID 82970659) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
PubChem CID82970659
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C16H20BrNOS/c1-11(9-14-5-4-8-20-14)18(3)16-7-6-13(17)10-15(16)12(2)19/h4-8,10-12,19H,9H2,1-3H3
InChIKeyHLRPFPPPICAADT-UHFFFAOYSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]butanenitrile
CID 82970578
N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485743
2-bromo-3-fluoro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarbothioamide
CID 107535244
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106
1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
CID 79476527
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 79488908
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472106

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol (CID 82970659) is 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol is CC(O)c1cc(Br)ccc1N(C)C(C)Cc1cccs1.
What is the InChIKey of 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol?
The InChIKey is HLRPFPPPICAADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-11(9-14-5-4-8-20-14)18(3)16-7-6-13(17)10-15(16)12(2)19/h4-8,10-12,19H,9H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol?
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol has a molecular weight of 354.31 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 82970659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).