1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride

C34H36Cl6N2 — CID 158525869

IUPAC1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride
SMILESCN(C)CC1CC(c2cccc(Cl)c2Cl)c2ccccc21.Cl.Cl.NCC1CC(c2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C18H19Cl2N.C16H15Cl2N.2ClH/c1-21(2)11-12-10-16(14-7-4-3-6-13(12)14)15-8-5-9-17(19)18(15)20;17-15-7-3-6-13(16(15)18)14-8-10(9-19)11-4-1-2-5-12(11)14;;/h3-9,12,16H,10-11H2,1-2H3;1-7,10,14H,8-9,19H2;2*1H
InChIKeyCHDIOEOVKPSQCQ-UHFFFAOYSA-N
MW685.39 g/mol
LogP10.59
Rot. Bonds5

About 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride

1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride (PubChem CID 158525869) has the molecular formula C34H36Cl6N2 and a molecular weight of 685.39 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride
PubChem CID158525869
Molecular FormulaC34H36Cl6N2
Molecular Weight685.39 g/mol
Exact Mass682.10
IUPAC Name1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride
SMILESCN(C)CC1CC(c2cccc(Cl)c2Cl)c2ccccc21.Cl.Cl.NCC1CC(c2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C18H19Cl2N.C16H15Cl2N.2ClH/c1-21(2)11-12-10-16(14-7-4-3-6-13(12)14)15-8-5-9-17(19)18(15)20;17-15-7-3-6-13(16(15)18)14-8-10(9-19)11-4-1-2-5-12(11)14;;/h3-9,12,16H,10-11H2,1-2H3;1-7,10,14H,8-9,19H2;2*1H
InChIKeyCHDIOEOVKPSQCQ-UHFFFAOYSA-N
XLogP10.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.39
LogP ≤ 510.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride with MolForge

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Related Compounds

[(1R,3R)-3-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
CID 142775783
[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]methanamine
CID 58681536
[(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine
CID 68913115
3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol
CID 82125901
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
CID 29079561
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
(4R)-2-(2,3-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947901
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
[(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
CID 68914493
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride
CID 165145885

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride?
The IUPAC name of 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride (CID 158525869) is 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride.
What is the SMILES notation for 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride?
The canonical SMILES for 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride is CN(C)CC1CC(c2cccc(Cl)c2Cl)c2ccccc21.Cl.Cl.NCC1CC(c2cccc(Cl)c2Cl)c2ccccc21.
What is the InChIKey of 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride?
The InChIKey is CHDIOEOVKPSQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N.C16H15Cl2N.2ClH/c1-21(2)11-12-10-16(14-7-4-3-6-13(12)14)15-8-5-9-17(19)18(15)20;17-15-7-3-6-13(16(15)18)14-8-10(9-19)11-4-1-2-5-12(11)14;;/h3-9,12,16H,10-11H2,1-2H3;1-7,10,14H,8-9,19H2;2*1H.
What are the key properties of 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride?
1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride has a molecular weight of 685.39 g/mol, XLogP of 10.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride is sourced from PubChem (CID 158525869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).