4-(6-bromoindol-1-yl)butan-1-amine

C12H15BrN2 — CID 62566051

IUPAC4-(6-bromoindol-1-yl)butan-1-amine
SMILESNCCCCn1ccc2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2/c13-11-4-3-10-5-8-15(12(10)9-11)7-2-1-6-14/h3-5,8-9H,1-2,6-7,14H2
InChIKeySOCMHQNQGFKTKU-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.14
Rot. Bonds4

About 4-(6-bromoindol-1-yl)butan-1-amine

4-(6-bromoindol-1-yl)butan-1-amine (PubChem CID 62566051) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-(6-bromoindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(6-bromoindol-1-yl)butan-1-amine
PubChem CID62566051
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name4-(6-bromoindol-1-yl)butan-1-amine
SMILESNCCCCn1ccc2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2/c13-11-4-3-10-5-8-15(12(10)9-11)7-2-1-6-14/h3-5,8-9H,1-2,6-7,14H2
InChIKeySOCMHQNQGFKTKU-UHFFFAOYSA-N
XLogP3.14
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
6-bromo-1-(2-fluoroethyl)indole
CID 116622037
6-bromo-1-(4-phenylbutyl)indole
CID 114334825
6-bromo-1-(3-methylsulfonylpropyl)indole
CID 116621947
6-bromo-1-[11-methyl-10,10-di(propan-2-yl)dodecyl]indole
CID 151276834
6-bromo-1-but-3-enylindole
CID 116622027
6-bromo-1-(3-methylbutyl)indole
CID 116621828
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
N-[3-(6-bromoindol-1-yl)propyl]aniline
CID 63506154
N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
CID 62567358
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937
1-(4-bromobutyl)-6-chloroindole
CID 135074562

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoindol-1-yl)butan-1-amine?
The IUPAC name of 4-(6-bromoindol-1-yl)butan-1-amine (CID 62566051) is 4-(6-bromoindol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(6-bromoindol-1-yl)butan-1-amine?
The canonical SMILES for 4-(6-bromoindol-1-yl)butan-1-amine is NCCCCn1ccc2ccc(Br)cc21.
What is the InChIKey of 4-(6-bromoindol-1-yl)butan-1-amine?
The InChIKey is SOCMHQNQGFKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-11-4-3-10-5-8-15(12(10)9-11)7-2-1-6-14/h3-5,8-9H,1-2,6-7,14H2.
What are the key properties of 4-(6-bromoindol-1-yl)butan-1-amine?
4-(6-bromoindol-1-yl)butan-1-amine has a molecular weight of 267.17 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoindol-1-yl)butan-1-amine is sourced from PubChem (CID 62566051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).