2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H23ClN2O — CID 106614950

IUPAC2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CCOc1cccc(Cl)c1)CC1CCCN1
InChIInChI=1S/C15H23ClN2O/c1-2-18(12-14-6-4-8-17-14)9-10-19-15-7-3-5-13(16)11-15/h3,5,7,11,14,17H,2,4,6,8-10,12H2,1H3
InChIKeyPJFIRYBXVVYCSD-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.79
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106614950) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106614950
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CCOc1cccc(Cl)c1)CC1CCCN1
InChIInChI=1S/C15H23ClN2O/c1-2-18(12-14-6-4-8-17-14)9-10-19-15-7-3-5-13(16)11-15/h3,5,7,11,14,17H,2,4,6,8-10,12H2,1H3
InChIKeyPJFIRYBXVVYCSD-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106614950) is 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CCOc1cccc(Cl)c1)CC1CCCN1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is PJFIRYBXVVYCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-18(12-14-6-4-8-17-14)9-10-19-15-7-3-5-13(16)11-15/h3,5,7,11,14,17H,2,4,6,8-10,12H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106614950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).