4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine

C15H16BrNS — CID 103901794

IUPAC4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2c(Br)cccc21)c1ccsc1
InChIInChI=1S/C15H16BrNS/c1-10(11-7-8-18-9-11)17-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-10,15,17H,5-6H2,1H3
InChIKeySKSYYLDUWZYZPC-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.85
Rot. Bonds3

About 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine

4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103901794) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103901794
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2c(Br)cccc21)c1ccsc1
InChIInChI=1S/C15H16BrNS/c1-10(11-7-8-18-9-11)17-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-10,15,17H,5-6H2,1H3
InChIKeySKSYYLDUWZYZPC-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

1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
4,4-dimethyl-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 62841312
4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103846493
N-(1-thiophen-3-ylethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 62841161
4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 103846488
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81406364
3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62840280
(2S)-2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 102613765

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine (CID 103901794) is 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2c(Br)cccc21)c1ccsc1.
What is the InChIKey of 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SKSYYLDUWZYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-10(11-7-8-18-9-11)17-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-10,15,17H,5-6H2,1H3.
What are the key properties of 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(1-thiophen-3-ylethyl)-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 4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103901794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).