1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C16H16BrFN2 — CID 83213115

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccc(F)c(Br)c1)CC2
InChIInChI=1S/C16H16BrFN2/c1-10-6-12-4-5-20(16(12)8-15(10)19)9-11-2-3-14(18)13(17)7-11/h2-3,6-8H,4-5,9,19H2,1H3
InChIKeyWTYAMURFNQYBPZ-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.04
Rot. Bonds2

About 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83213115) has the molecular formula C16H16BrFN2 and a molecular weight of 335.22 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83213115
Molecular FormulaC16H16BrFN2
Molecular Weight335.22 g/mol
Exact Mass334.05
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccc(F)c(Br)c1)CC2
InChIInChI=1S/C16H16BrFN2/c1-10-6-12-4-5-20(16(12)8-15(10)19)9-11-2-3-14(18)13(17)7-11/h2-3,6-8H,4-5,9,19H2,1H3
InChIKeyWTYAMURFNQYBPZ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 83213115) is 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1ccc(F)c(Br)c1)CC2.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is WTYAMURFNQYBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2/c1-10-6-12-4-5-20(16(12)8-15(10)19)9-11-2-3-14(18)13(17)7-11/h2-3,6-8H,4-5,9,19H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 335.22 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83213115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).