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

C15H16BrNS — CID 54897773

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNS/c1-10(14-8-9-15(16)18-14)17-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-10,13,17H,6-7H2,1H3
InChIKeyRBABGJFFJICRLP-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.85
Rot. Bonds3

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

N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 54897773) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID54897773
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNS/c1-10(14-8-9-15(16)18-14)17-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-10,13,17H,6-7H2,1H3
InChIKeyRBABGJFFJICRLP-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898
3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine
CID 70248724
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43670189
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
1-(5-bromothiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63503087
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 54897773) is N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2ccccc21)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RBABGJFFJICRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-10(14-8-9-15(16)18-14)17-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-10,13,17H,6-7H2,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 322.27 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 54897773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).