(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine

C12H17BrN2 — CID 51601161

IUPAC(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine
SMILESCC(C)CN1C[C@@H](N)c2cc(Br)ccc21
InChIInChI=1S/C12H17BrN2/c1-8(2)6-15-7-11(14)10-5-9(13)3-4-12(10)15/h3-5,8,11H,6-7,14H2,1-2H3/t11-/m1/s1
InChIKeyPXQFLQPZJOJERB-LLVKDONJSA-N
MW269.19 g/mol
LogP2.92
Rot. Bonds2

About (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine

(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine (PubChem CID 51601161) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine.

Molecular Properties

Compound Name(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine
PubChem CID51601161
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine
SMILESCC(C)CN1C[C@@H](N)c2cc(Br)ccc21
InChIInChI=1S/C12H17BrN2/c1-8(2)6-15-7-11(14)10-5-9(13)3-4-12(10)15/h3-5,8,11H,6-7,14H2,1-2H3/t11-/m1/s1
InChIKeyPXQFLQPZJOJERB-LLVKDONJSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine?
The IUPAC name of (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine (CID 51601161) is (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine.
What is the SMILES notation for (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine?
The canonical SMILES for (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine is CC(C)CN1C[C@@H](N)c2cc(Br)ccc21.
What is the InChIKey of (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine?
The InChIKey is PXQFLQPZJOJERB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8(2)6-15-7-11(14)10-5-9(13)3-4-12(10)15/h3-5,8,11H,6-7,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine?
(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine is sourced from PubChem (CID 51601161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).