N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine

C18H22BrNS — CID 65403400

IUPACN-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)C1CCc2ccccc21
InChIInChI=1S/C18H22BrNS/c1-2-11-20-17(12-14-8-10-18(19)21-14)16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10,16-17,20H,2,7,9,11-12H2,1H3
InChIKeyQWNJGRNCSQOCJJ-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.15
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine

N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine (PubChem CID 65403400) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
PubChem CID65403400
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)C1CCc2ccccc21
InChIInChI=1S/C18H22BrNS/c1-2-11-20-17(12-14-8-10-18(19)21-14)16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10,16-17,20H,2,7,9,11-12H2,1H3
InChIKeyQWNJGRNCSQOCJJ-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(furan-2-yl)ethyl]propan-1-amine
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N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
1-(2,3-dihydro-1H-inden-1-yl)-3-methylidene-N-propylpentan-1-amine
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N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049594
2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63250788
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
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N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841207

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine (CID 65403400) is N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)C1CCc2ccccc21.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine?
The InChIKey is QWNJGRNCSQOCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-2-11-20-17(12-14-8-10-18(19)21-14)16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10,16-17,20H,2,7,9,11-12H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine has a molecular weight of 364.35 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65403400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).