1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol

C16H20BrNOS — CID 62625441

IUPAC1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCC(c1cccs1)N(C)CCC(O)c1ccccc1Br
InChIInChI=1S/C16H20BrNOS/c1-12(16-8-5-11-20-16)18(2)10-9-15(19)13-6-3-4-7-14(13)17/h3-8,11-12,15,19H,9-10H2,1-2H3
InChIKeyZRWNNVQPBSJAGA-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.63
Rot. Bonds6

About 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol

1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol (PubChem CID 62625441) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
PubChem CID62625441
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCC(c1cccs1)N(C)CCC(O)c1ccccc1Br
InChIInChI=1S/C16H20BrNOS/c1-12(16-8-5-11-20-16)18(2)10-9-15(19)13-6-3-4-7-14(13)17/h3-8,11-12,15,19H,9-10H2,1-2H3
InChIKeyZRWNNVQPBSJAGA-UHFFFAOYSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-(2-bromophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62630300
1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
CID 62623839
1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 62624752
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
CID 107204738
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
CID 79490115
1-(4-bromo-2-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 82777674
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol (CID 62625441) is 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol is CC(c1cccs1)N(C)CCC(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
The InChIKey is ZRWNNVQPBSJAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-12(16-8-5-11-20-16)18(2)10-9-15(19)13-6-3-4-7-14(13)17/h3-8,11-12,15,19H,9-10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol?
1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol has a molecular weight of 354.31 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 62625441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).