(1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

C12H14BrN — CID 67253556

IUPAC(1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCN[C@@H]1CC(Br)c2ccccc21
InChIInChI=1S/C12H14BrN/c1-2-7-14-12-8-11(13)9-5-3-4-6-10(9)12/h2-6,11-12,14H,1,7-8H2/t11?,12-/m1/s1
InChIKeyDXEIIBIIXXHTQA-PIJUOVFKSA-N
MW252.16 g/mol
LogP3.34
Rot. Bonds3

About (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

(1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 67253556) has the molecular formula C12H14BrN and a molecular weight of 252.16 g/mol. Its IUPAC name is (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
PubChem CID67253556
Molecular FormulaC12H14BrN
Molecular Weight252.16 g/mol
Exact Mass251.03
IUPAC Name(1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCN[C@@H]1CC(Br)c2ccccc21
InChIInChI=1S/C12H14BrN/c1-2-7-14-12-8-11(13)9-5-3-4-6-10(9)12/h2-6,11-12,14H,1,7-8H2/t11?,12-/m1/s1
InChIKeyDXEIIBIIXXHTQA-PIJUOVFKSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (CID 67253556) is (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is C=CCN[C@@H]1CC(Br)c2ccccc21.
What is the InChIKey of (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DXEIIBIIXXHTQA-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H14BrN/c1-2-7-14-12-8-11(13)9-5-3-4-6-10(9)12/h2-6,11-12,14H,1,7-8H2/t11?,12-/m1/s1.
What are the key properties of (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
(1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 252.16 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 67253556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).