1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine

C19H19Cl2NO — CID 90369189

IUPAC1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
SMILESClc1cc(Cl)c2c(c1)C(Oc1ccccc1)C(N1CCCC1)C2
InChIInChI=1S/C19H19Cl2NO/c20-13-10-16-15(17(21)11-13)12-18(22-8-4-5-9-22)19(16)23-14-6-2-1-3-7-14/h1-3,6-7,10-11,18-19H,4-5,8-9,12H2
InChIKeyMGAJDYOQYMNDOZ-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.13
Rot. Bonds3

About 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine

1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine (PubChem CID 90369189) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
PubChem CID90369189
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
SMILESClc1cc(Cl)c2c(c1)C(Oc1ccccc1)C(N1CCCC1)C2
InChIInChI=1S/C19H19Cl2NO/c20-13-10-16-15(17(21)11-13)12-18(22-8-4-5-9-22)19(16)23-14-6-2-1-3-7-14/h1-3,6-7,10-11,18-19H,4-5,8-9,12H2
InChIKeyMGAJDYOQYMNDOZ-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine?
The IUPAC name of 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine (CID 90369189) is 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine.
What is the SMILES notation for 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine?
The canonical SMILES for 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine is Clc1cc(Cl)c2c(c1)C(Oc1ccccc1)C(N1CCCC1)C2.
What is the InChIKey of 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine?
The InChIKey is MGAJDYOQYMNDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c20-13-10-16-15(17(21)11-13)12-18(22-8-4-5-9-22)19(16)23-14-6-2-1-3-7-14/h1-3,6-7,10-11,18-19H,4-5,8-9,12H2.
What are the key properties of 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine?
1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine has a molecular weight of 348.27 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine is sourced from PubChem (CID 90369189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).