3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine

C14H21BrN2 — CID 117201227

IUPAC3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCC(C)N1c2ccc(Br)cc2CC1CCCN
InChIInChI=1S/C14H21BrN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3
InChIKeyOVQNGGYLKCLXJS-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.33
Rot. Bonds4

About 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine

3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine (PubChem CID 117201227) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
PubChem CID117201227
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCC(C)N1c2ccc(Br)cc2CC1CCCN
InChIInChI=1S/C14H21BrN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3
InChIKeyOVQNGGYLKCLXJS-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 115006247
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201212
1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201059
3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201218
2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 155591610
2-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198825
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117201027
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117201259
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
CID 117201169
N-methyl-1-(5-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117200838

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine (CID 117201227) is 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine is CC(C)N1c2ccc(Br)cc2CC1CCCN.
What is the InChIKey of 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The InChIKey is OVQNGGYLKCLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3.
What are the key properties of 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine is sourced from PubChem (CID 117201227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).