1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine

C15H16BrNOS — CID 114983770

IUPAC1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
SMILESNC(CC1OCCc2ccccc21)c1sccc1Br
InChIInChI=1S/C15H16BrNOS/c16-12-6-8-19-15(12)13(17)9-14-11-4-2-1-3-10(11)5-7-18-14/h1-4,6,8,13-14H,5,7,9,17H2
InChIKeyXNIUVWLHMOTNNS-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine

1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine (PubChem CID 114983770) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
PubChem CID114983770
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
SMILESNC(CC1OCCc2ccccc21)c1sccc1Br
InChIInChI=1S/C15H16BrNOS/c16-12-6-8-19-15(12)13(17)9-14-11-4-2-1-3-10(11)5-7-18-14/h1-4,6,8,13-14H,5,7,9,17H2
InChIKeyXNIUVWLHMOTNNS-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 114983630
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 115809638
1-(3-bromo-4-fluorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 82790181
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115809602
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 114983768
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093089
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 114983739
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 114983745
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 114983497
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 114983702
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 114984419

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine (CID 114983770) is 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine is NC(CC1OCCc2ccccc21)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The InChIKey is XNIUVWLHMOTNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-12-6-8-19-15(12)13(17)9-14-11-4-2-1-3-10(11)5-7-18-14/h1-4,6,8,13-14H,5,7,9,17H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine has a molecular weight of 338.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine is sourced from PubChem (CID 114983770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).