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

C17H18Cl3N — CID 45260271

IUPAC3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17H,10H2,1-2H3;1H
InChIKeyPWTQREHTJFEOPR-UHFFFAOYSA-N
MW342.70 g/mol
LogP5.55
Rot. Bonds2

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

3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260271) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260271
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC Name3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17H,10H2,1-2H3;1H
InChIKeyPWTQREHTJFEOPR-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11465618
Indatraline
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Indatraline hydrochloride
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n-Methyl sertraline
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[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
CID 3703
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-methyl-6,9-diaza-spiro[4.5]decane
CID 10810927
8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-methyl-5,8-diaza-spiro[3.5]nonane
CID 11794473
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
CID 11795296

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260271) is 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(C)C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is PWTQREHTJFEOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11;/h3-9,14,17H,10H2,1-2H3;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 342.70 g/mol, XLogP of 5.55, 2 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-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).