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

C19H22Cl3N — CID 45260266

IUPAC3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCN(CC)C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C19H21Cl2N.ClH/c1-3-22(4-2)19-12-16(14-7-5-6-8-15(14)19)13-9-10-17(20)18(21)11-13;/h5-11,16,19H,3-4,12H2,1-2H3;1H
InChIKeyZPWAKSBTYPRABT-UHFFFAOYSA-N
MW370.75 g/mol
LogP6.33
Rot. Bonds4

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

3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260266) has the molecular formula C19H22Cl3N and a molecular weight of 370.75 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260266
Molecular FormulaC19H22Cl3N
Molecular Weight370.75 g/mol
Exact Mass369.08
IUPAC Name3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCN(CC)C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C19H21Cl2N.ClH/c1-3-22(4-2)19-12-16(14-7-5-6-8-15(14)19)13-9-10-17(20)18(21)11-13;/h5-11,16,19H,3-4,12H2,1-2H3;1H
InChIKeyZPWAKSBTYPRABT-UHFFFAOYSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.75
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-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 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260266) is 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CCN(CC)C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is ZPWAKSBTYPRABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N.ClH/c1-3-22(4-2)19-12-16(14-7-5-6-8-15(14)19)13-9-10-17(20)18(21)11-13;/h5-11,16,19H,3-4,12H2,1-2H3;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 370.75 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).