(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine

C9H9BrClN — CID 131076803

IUPAC(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(Cl)ccc(Br)c21
InChIInChI=1S/C9H9BrClN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2/t8-/m1/s1
InChIKeyASBHCOTWROHLPI-MRVPVSSYSA-N
MW246.53 g/mol
LogP3.05
Rot. Bonds

About (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine

(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine (PubChem CID 131076803) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
PubChem CID131076803
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(Cl)ccc(Br)c21
InChIInChI=1S/C9H9BrClN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2/t8-/m1/s1
InChIKeyASBHCOTWROHLPI-MRVPVSSYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine (CID 131076803) is (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine is N[C@@H]1CCc2c(Cl)ccc(Br)c21.
What is the InChIKey of (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ASBHCOTWROHLPI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrClN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2/t8-/m1/s1.
What are the key properties of (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine?
(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 246.53 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 131076803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).