(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

C18H22ClN — CID 67652082

IUPAC(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H]1Cc1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-19(2)18-13-15-10-6-7-11-16(15)17(18)12-14-8-4-3-5-9-14;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-,18-;/m1./s1
InChIKeyLTVNZLGMQAOPJZ-JAXOOIEVSA-N
MW287.83 g/mol
LogP3.92
Rot. Bonds3

About (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 67652082) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID67652082
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H]1Cc1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-19(2)18-13-15-10-6-7-11-16(15)17(18)12-14-8-4-3-5-9-14;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-,18-;/m1./s1
InChIKeyLTVNZLGMQAOPJZ-JAXOOIEVSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 67652082) is (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CN(C)[C@@H]1Cc2ccccc2[C@H]1Cc1ccccc1.Cl.
What is the InChIKey of (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is LTVNZLGMQAOPJZ-JAXOOIEVSA-N. The full InChI is InChI=1S/C18H21N.ClH/c1-19(2)18-13-15-10-6-7-11-16(15)17(18)12-14-8-4-3-5-9-14;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-,18-;/m1./s1.
What are the key properties of (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 67652082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).