3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride

C13H21Cl3N2O — CID 154924889

IUPAC3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(CNCCc2ccccc2Cl)CCNC1
InChIInChI=1S/C13H19ClN2O.2ClH/c14-12-4-2-1-3-11(12)5-7-15-9-13(17)6-8-16-10-13;;/h1-4,15-17H,5-10H2;2*1H
InChIKeyGGBZJPGUBNGRBI-UHFFFAOYSA-N
MW327.68 g/mol
LogP2.04
Rot. Bonds5

About 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride

3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride (PubChem CID 154924889) has the molecular formula C13H21Cl3N2O and a molecular weight of 327.68 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
PubChem CID154924889
Molecular FormulaC13H21Cl3N2O
Molecular Weight327.68 g/mol
Exact Mass326.07
IUPAC Name3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(CNCCc2ccccc2Cl)CCNC1
InChIInChI=1S/C13H19ClN2O.2ClH/c14-12-4-2-1-3-11(12)5-7-15-9-13(17)6-8-16-10-13;;/h1-4,15-17H,5-10H2;2*1H
InChIKeyGGBZJPGUBNGRBI-UHFFFAOYSA-N
XLogP2.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride (CID 154924889) is 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride is Cl.Cl.OC1(CNCCc2ccccc2Cl)CCNC1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
The InChIKey is GGBZJPGUBNGRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.2ClH/c14-12-4-2-1-3-11(12)5-7-15-9-13(17)6-8-16-10-13;;/h1-4,15-17H,5-10H2;2*1H.
What are the key properties of 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride?
3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride has a molecular weight of 327.68 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 154924889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).