2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C15H23ClN2O — CID 106606396

IUPAC2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(c1ccccc1Cl)N(CCO)CC1CCCN1
InChIInChI=1S/C15H23ClN2O/c1-12(14-6-2-3-7-15(14)16)18(9-10-19)11-13-5-4-8-17-13/h2-3,6-7,12-13,17,19H,4-5,8-11H2,1H3
InChIKeyWCAFOSWOXOFBEX-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.45
Rot. Bonds6

About 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606396) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606396
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(c1ccccc1Cl)N(CCO)CC1CCCN1
InChIInChI=1S/C15H23ClN2O/c1-12(14-6-2-3-7-15(14)16)18(9-10-19)11-13-5-4-8-17-13/h2-3,6-7,12-13,17,19H,4-5,8-11H2,1H3
InChIKeyWCAFOSWOXOFBEX-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
2-[1-(2-methoxy-5-methylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606918
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606795
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607019
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606396) is 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is CC(c1ccccc1Cl)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is WCAFOSWOXOFBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(14-6-2-3-7-15(14)16)18(9-10-19)11-13-5-4-8-17-13/h2-3,6-7,12-13,17,19H,4-5,8-11H2,1H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 282.81 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).