(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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Related Compounds

(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
CID 167717873
1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-amine
CID 67760848
(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine
CID 67388625
3-(3-hydroxy-2,3-dimethyl-1H-inden-2-yl)propanenitrile
CID 59542284
2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
CID 138040145
2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
CID 62800564
[(15S)-15-ethyl-15-methyl-8-sulfaniumyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]sulfanium
CID 101370833
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008
1-(1-hydroxy-2,2-dimethyl-3H-inden-1-yl)propan-1-one
CID 12992269
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
CID 168862881

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).