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

C17H20BrNS — CID 43496753

IUPACN-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1ccc(Br)s1
InChIInChI=1S/C17H20BrNS/c1-2-10-19-17(15-8-9-16(18)20-15)14-7-6-12-4-3-5-13(12)11-14/h6-9,11,17,19H,2-5,10H2,1H3
InChIKeyOKLRNDGSJDSJFX-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.09
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine (PubChem CID 43496753) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
PubChem CID43496753
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC NameN-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1ccc(Br)s1
InChIInChI=1S/C17H20BrNS/c1-2-10-19-17(15-8-9-16(18)20-15)14-7-6-12-4-3-5-13(12)11-14/h6-9,11,17,19H,2-5,10H2,1H3
InChIKeyOKLRNDGSJDSJFX-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-2-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-methylthiophen-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 43494255
N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
CID 43497873
N-[(3-bromo-4-methoxyphenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 43493838
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
N-[(5-bromothiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544380
N-[(5-bromothiophen-2-yl)-(4-butylphenyl)methyl]propan-1-amine
CID 43496386
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
N-[(4-chlorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 43494735
N-[(5-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237372
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 80532243
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 104541898

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine (CID 43496753) is N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCC2)c1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
The InChIKey is OKLRNDGSJDSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-2-10-19-17(15-8-9-16(18)20-15)14-7-6-12-4-3-5-13(12)11-14/h6-9,11,17,19H,2-5,10H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine?
N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine has a molecular weight of 350.33 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 43496753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).