1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C16H17BrN2 — CID 83212879

IUPAC1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccccc1Br)CC2
InChIInChI=1S/C16H17BrN2/c1-11-8-12-6-7-19(16(12)9-15(11)18)10-13-4-2-3-5-14(13)17/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyRQOXQZVGQHKWDB-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.90
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83212879) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83212879
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccccc1Br)CC2
InChIInChI=1S/C16H17BrN2/c1-11-8-12-6-7-19(16(12)9-15(11)18)10-13-4-2-3-5-14(13)17/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyRQOXQZVGQHKWDB-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.90
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-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 83212879) is 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1ccccc1Br)CC2.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is RQOXQZVGQHKWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-8-12-6-7-19(16(12)9-15(11)18)10-13-4-2-3-5-14(13)17/h2-5,8-9H,6-7,10,18H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 317.23 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83212879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).