3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C16H16Cl3N — CID 3020938

IUPAC3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H
InChIKeyQICQDZXGZOVTEF-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.21
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 3020938) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID3020938
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H
InChIKeyQICQDZXGZOVTEF-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 3020938) is 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is QICQDZXGZOVTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 328.67 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 3020938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).