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

C17H19Cl2N — CID 45260325

IUPAC3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2cccc(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H18ClN.ClH/c1-19(2)17-11-16(12-6-5-7-13(18)10-12)14-8-3-4-9-15(14)17;/h3-10,16-17H,11H2,1-2H3;1H
InChIKeyOVJNHNBVBSWVJG-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.90
Rot. Bonds2

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

3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260325) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260325
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2cccc(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H18ClN.ClH/c1-19(2)17-11-16(12-6-5-7-13(18)10-12)14-8-3-4-9-15(14)17;/h3-10,16-17H,11H2,1-2H3;1H
InChIKeyOVJNHNBVBSWVJG-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260325) is 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(C)C1CC(c2cccc(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is OVJNHNBVBSWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN.ClH/c1-19(2)17-11-16(12-6-5-7-13(18)10-12)14-8-3-4-9-15(14)17;/h3-10,16-17H,11H2,1-2H3;1H.
What are the key properties of 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).