2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride

C17H18Cl3NO — CID 45260249

IUPAC2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride
SMILESCl.OCCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17Cl2NO.ClH/c18-15-6-5-11(9-16(15)19)14-10-17(20-7-8-21)13-4-2-1-3-12(13)14;/h1-6,9,14,17,20-21H,7-8,10H2;1H
InChIKeySVHYIAYKHHGUGZ-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.57
Rot. Bonds4

About 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride

2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride (PubChem CID 45260249) has the molecular formula C17H18Cl3NO and a molecular weight of 358.70 g/mol. Its IUPAC name is 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride
PubChem CID45260249
Molecular FormulaC17H18Cl3NO
Molecular Weight358.70 g/mol
Exact Mass357.05
IUPAC Name2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride
SMILESCl.OCCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17Cl2NO.ClH/c18-15-6-5-11(9-16(15)19)14-10-17(20-7-8-21)13-4-2-1-3-12(13)14;/h1-6,9,14,17,20-21H,7-8,10H2;1H
InChIKeySVHYIAYKHHGUGZ-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride (CID 45260249) is 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride is Cl.OCCNC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride?
The InChIKey is SVHYIAYKHHGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO.ClH/c18-15-6-5-11(9-16(15)19)14-10-17(20-7-8-21)13-4-2-1-3-12(13)14;/h1-6,9,14,17,20-21H,7-8,10H2;1H.
What are the key properties of 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride?
2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride has a molecular weight of 358.70 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 45260249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).