4-bromo-1-(3-phenylpropyl)indole

C17H16BrN — CID 116625927

IUPAC4-bromo-1-(3-phenylpropyl)indole
SMILESBrc1cccc2c1ccn2CCCc1ccccc1
InChIInChI=1S/C17H16BrN/c18-16-9-4-10-17-15(16)11-13-19(17)12-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-11,13H,5,8,12H2
InChIKeyKVBFETGOXCOIED-UHFFFAOYSA-N
MW314.23 g/mol
LogP5.04
Rot. Bonds4

About 4-bromo-1-(3-phenylpropyl)indole

4-bromo-1-(3-phenylpropyl)indole (PubChem CID 116625927) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-1-(3-phenylpropyl)indole.

Molecular Properties

Compound Name4-bromo-1-(3-phenylpropyl)indole
PubChem CID116625927
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name4-bromo-1-(3-phenylpropyl)indole
SMILESBrc1cccc2c1ccn2CCCc1ccccc1
InChIInChI=1S/C17H16BrN/c18-16-9-4-10-17-15(16)11-13-19(17)12-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-11,13H,5,8,12H2
InChIKeyKVBFETGOXCOIED-UHFFFAOYSA-N
XLogP5.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-(4-phenylbutyl)indole
CID 114334837
3-(4-bromoindol-1-yl)propan-1-ol
CID 66827430
1-(3-phenylpropyl)indole-4-carbonitrile
CID 107918950
4-bromo-1-(2-pyridin-4-ylethyl)indole
CID 116625918
2-(4-bromoindol-1-yl)ethanol
CID 66827454
4-(4-bromoindol-1-yl)-N-methylbutan-1-amine
CID 115352042
1-(4-phenylbutyl)indole-4-carbonitrile
CID 107919078
4-bromo-1-(2-methylsulfanylethyl)indole
CID 116626132
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
1-[2-(3-phenylpropoxy)ethyl]indol-4-ol
CID 18351773
3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-phenylpropyl)indole?
The IUPAC name of 4-bromo-1-(3-phenylpropyl)indole (CID 116625927) is 4-bromo-1-(3-phenylpropyl)indole.
What is the SMILES notation for 4-bromo-1-(3-phenylpropyl)indole?
The canonical SMILES for 4-bromo-1-(3-phenylpropyl)indole is Brc1cccc2c1ccn2CCCc1ccccc1.
What is the InChIKey of 4-bromo-1-(3-phenylpropyl)indole?
The InChIKey is KVBFETGOXCOIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c18-16-9-4-10-17-15(16)11-13-19(17)12-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-11,13H,5,8,12H2.
What are the key properties of 4-bromo-1-(3-phenylpropyl)indole?
4-bromo-1-(3-phenylpropyl)indole has a molecular weight of 314.23 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-phenylpropyl)indole is sourced from PubChem (CID 116625927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).