N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine

C17H22BrNS — CID 79448721

IUPACN-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccsc1)c1ccccc1Br
InChIInChI=1S/C17H22BrNS/c1-13(2)10-19-11-15(9-14-7-8-20-12-14)16-5-3-4-6-17(16)18/h3-8,12-13,15,19H,9-11H2,1-2H3
InChIKeySUXKPHPLURXEDY-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.08
Rot. Bonds7

About N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine

N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine (PubChem CID 79448721) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
PubChem CID79448721
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC NameN-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccsc1)c1ccccc1Br
InChIInChI=1S/C17H22BrNS/c1-13(2)10-19-11-15(9-14-7-8-20-12-14)16-5-3-4-6-17(16)18/h3-8,12-13,15,19H,9-11H2,1-2H3
InChIKeySUXKPHPLURXEDY-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79448646
2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine
CID 79449305
2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930865
N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
CID 66436074
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
CID 55106895
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
[1-(2-bromophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105208687
2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79448483
3-(2,2-dibromoethyl)thiophene
CID 174416053

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine (CID 79448721) is N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1ccsc1)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
The InChIKey is SUXKPHPLURXEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-13(2)10-19-11-15(9-14-7-8-20-12-14)16-5-3-4-6-17(16)18/h3-8,12-13,15,19H,9-11H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine has a molecular weight of 352.34 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79448721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).