1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine

C10H13BrN2 — CID 117199956

IUPAC1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESCC(N)C1CNc2cccc(Br)c21
InChIInChI=1S/C10H13BrN2/c1-6(12)7-5-13-9-4-2-3-8(11)10(7)9/h2-4,6-7,13H,5,12H2,1H3
InChIKeyZTFXAFRXHOKYNP-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.31
Rot. Bonds1

About 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine

1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 117199956) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
PubChem CID117199956
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESCC(N)C1CNc2cccc(Br)c21
InChIInChI=1S/C10H13BrN2/c1-6(12)7-5-13-9-4-2-3-8(11)10(7)9/h2-4,6-7,13H,5,12H2,1H3
InChIKeyZTFXAFRXHOKYNP-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
5-Bromoindoline
CID 3411566
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
Ver-3323
CID 6604042
5-Bromo-3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055334
5-Bromo-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055293
2-(2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11074217
3-Methylindoline
CID 524504
(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 40815975
(2R)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 11984031
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indole
CID 11183719
5'-Bromo-1',2'-dihydrospiro(cyclopentane-1,3'-indole)
CID 54593900

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine (CID 117199956) is 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine is CC(N)C1CNc2cccc(Br)c21.
What is the InChIKey of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is ZTFXAFRXHOKYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-6(12)7-5-13-9-4-2-3-8(11)10(7)9/h2-4,6-7,13H,5,12H2,1H3.
What are the key properties of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine?
1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 241.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 117199956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).