(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride

C13H20ClN — CID 67389496

IUPAC(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride
SMILESCC[C@]1(C)Cc2ccccc2[C@]1(C)N.Cl
InChIInChI=1S/C13H19N.ClH/c1-4-12(2)9-10-7-5-6-8-11(10)13(12,3)14;/h5-8H,4,9,14H2,1-3H3;1H/t12-,13+;/m1./s1
InChIKeyHGCONZPIJURUBR-KZCZEQIWSA-N
MW225.76 g/mol
LogP3.25
Rot. Bonds1

About (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride

(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride (PubChem CID 67389496) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride
PubChem CID67389496
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride
SMILESCC[C@]1(C)Cc2ccccc2[C@]1(C)N.Cl
InChIInChI=1S/C13H19N.ClH/c1-4-12(2)9-10-7-5-6-8-11(10)13(12,3)14;/h5-8H,4,9,14H2,1-3H3;1H/t12-,13+;/m1./s1
InChIKeyHGCONZPIJURUBR-KZCZEQIWSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride?
The IUPAC name of (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride (CID 67389496) is (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride?
The canonical SMILES for (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride is CC[C@]1(C)Cc2ccccc2[C@]1(C)N.Cl.
What is the InChIKey of (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride?
The InChIKey is HGCONZPIJURUBR-KZCZEQIWSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-4-12(2)9-10-7-5-6-8-11(10)13(12,3)14;/h5-8H,4,9,14H2,1-3H3;1H/t12-,13+;/m1./s1.
What are the key properties of (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride?
(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride is sourced from PubChem (CID 67389496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).