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

C17H19Br2NS — CID 43497873

IUPACN-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1cc(Br)sc1Br
InChIInChI=1S/C17H19Br2NS/c1-2-8-20-16(14-10-15(18)21-17(14)19)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,16,20H,2-5,8H2,1H3
InChIKeyJOVOPKNWUZQUSR-UHFFFAOYSA-N
MW429.22 g/mol
LogP5.85
Rot. Bonds5

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

N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine (PubChem CID 43497873) has the molecular formula C17H19Br2NS and a molecular weight of 429.22 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
PubChem CID43497873
Molecular FormulaC17H19Br2NS
Molecular Weight429.22 g/mol
Exact Mass426.96
IUPAC NameN-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1cc(Br)sc1Br
InChIInChI=1S/C17H19Br2NS/c1-2-8-20-16(14-10-15(18)21-17(14)19)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,16,20H,2-5,8H2,1H3
InChIKeyJOVOPKNWUZQUSR-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.22
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
CID 43496753
N-[(4-bromo-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]propan-1-amine
CID 63502701
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
N-[(5-methylthiophen-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 43494255
N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038338
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 43493157
N-[(2,5-dibromothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114022189
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine (CID 43497873) is N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCC2)c1cc(Br)sc1Br.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
The InChIKey is JOVOPKNWUZQUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NS/c1-2-8-20-16(14-10-15(18)21-17(14)19)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,16,20H,2-5,8H2,1H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine has a molecular weight of 429.22 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).