6-bromo-1-(4-phenylbutyl)indole

C18H18BrN — CID 114334825

IUPAC6-bromo-1-(4-phenylbutyl)indole
SMILESBrc1ccc2ccn(CCCCc3ccccc3)c2c1
InChIInChI=1S/C18H18BrN/c19-17-10-9-16-11-13-20(18(16)14-17)12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
InChIKeyOKEHQWCKOJORCT-UHFFFAOYSA-N
MW328.25 g/mol
LogP5.43
Rot. Bonds5

About 6-bromo-1-(4-phenylbutyl)indole

6-bromo-1-(4-phenylbutyl)indole (PubChem CID 114334825) has the molecular formula C18H18BrN and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-bromo-1-(4-phenylbutyl)indole.

Molecular Properties

Compound Name6-bromo-1-(4-phenylbutyl)indole
PubChem CID114334825
Molecular FormulaC18H18BrN
Molecular Weight328.25 g/mol
Exact Mass327.06
IUPAC Name6-bromo-1-(4-phenylbutyl)indole
SMILESBrc1ccc2ccn(CCCCc3ccccc3)c2c1
InChIInChI=1S/C18H18BrN/c19-17-10-9-16-11-13-20(18(16)14-17)12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
InChIKeyOKEHQWCKOJORCT-UHFFFAOYSA-N
XLogP5.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.25
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-phenylbutyl)indol-6-yl]methanamine
CID 102916392
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
4-(6-bromoindol-1-yl)butan-1-amine
CID 62566051
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
N-[3-(6-bromoindol-1-yl)propyl]aniline
CID 63506154
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
CID 116691910
1-(4-phenylbutyl)indol-5-amine
CID 114333583
6-bromo-1-(2-fluoroethyl)indole
CID 116622037
4-bromo-1-(4-phenylbutyl)indole
CID 114334837
6-bromo-1-(3-methylsulfonylpropyl)indole
CID 116621947
6-bromo-1-[11-methyl-10,10-di(propan-2-yl)dodecyl]indole
CID 151276834

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-phenylbutyl)indole?
The IUPAC name of 6-bromo-1-(4-phenylbutyl)indole (CID 114334825) is 6-bromo-1-(4-phenylbutyl)indole.
What is the SMILES notation for 6-bromo-1-(4-phenylbutyl)indole?
The canonical SMILES for 6-bromo-1-(4-phenylbutyl)indole is Brc1ccc2ccn(CCCCc3ccccc3)c2c1.
What is the InChIKey of 6-bromo-1-(4-phenylbutyl)indole?
The InChIKey is OKEHQWCKOJORCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN/c19-17-10-9-16-11-13-20(18(16)14-17)12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2.
What are the key properties of 6-bromo-1-(4-phenylbutyl)indole?
6-bromo-1-(4-phenylbutyl)indole has a molecular weight of 328.25 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-phenylbutyl)indole is sourced from PubChem (CID 114334825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).