1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine

C14H19BrN2 — CID 117119705

IUPAC1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine
SMILESCC(N)Cc1cn(C(C)C)c2cccc(Br)c12
InChIInChI=1S/C14H19BrN2/c1-9(2)17-8-11(7-10(3)16)14-12(15)5-4-6-13(14)17/h4-6,8-10H,7,16H2,1-3H3
InChIKeyGGSLCPZJJNBFNQ-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.87
Rot. Bonds3

About 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine

1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine (PubChem CID 117119705) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine
PubChem CID117119705
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine
SMILESCC(N)Cc1cn(C(C)C)c2cccc(Br)c12
InChIInChI=1S/C14H19BrN2/c1-9(2)17-8-11(7-10(3)16)14-12(15)5-4-6-13(14)17/h4-6,8-10H,7,16H2,1-3H3
InChIKeyGGSLCPZJJNBFNQ-UHFFFAOYSA-N
XLogP3.87
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminopropyl)-1-propan-2-ylindol-4-ol
CID 83918695
(4-fluoro-1-propan-2-ylindol-3-yl)methanamine
CID 117119687
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-4-yl]methanamine
CID 117171620
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
3-(ethylsulfonylmethyl)-1-propan-2-ylindol-4-amine
CID 117171814
4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
CID 117172053
3-[(2R)-2-aminopropyl]-4-fluoroindole-1-carboxylic acid
CID 91245126
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513
4-chloro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117172066
4-bromo-3-(isocyanomethyl)-1-methylindole
CID 83488345
3-[(2R)-2-aminopropyl]-2-bromophenol
CID 130742864

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine (CID 117119705) is 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine is CC(N)Cc1cn(C(C)C)c2cccc(Br)c12.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine?
The InChIKey is GGSLCPZJJNBFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-9(2)17-8-11(7-10(3)16)14-12(15)5-4-6-13(14)17/h4-6,8-10H,7,16H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine?
1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine has a molecular weight of 295.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine is sourced from PubChem (CID 117119705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).