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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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616599
N-[2-(3-chlorophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617019
2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106632604
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
2-[2-(3,5-dimethylphenoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618194
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 103815664
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646

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).