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

C17H18Cl3N — CID 45260288

IUPAC3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-2-20-17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17,20H,2,10H2,1H3;1H
InChIKeyLKMYNZNMMGBUIR-UHFFFAOYSA-N
MW342.70 g/mol
LogP5.60
Rot. Bonds3

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

3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260288) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260288
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC Name3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-2-20-17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17,20H,2,10H2,1H3;1H
InChIKeyLKMYNZNMMGBUIR-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 55.60
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-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260288) is 3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is LKMYNZNMMGBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N.ClH/c1-2-20-17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17,20H,2,10H2,1H3;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 342.70 g/mol, XLogP of 5.60, 3 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-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).