3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine

C15H23ClN2O — CID 117237900

IUPAC3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
SMILESCCN1CCC(C(CN)COc2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-2-18-7-6-12(10-18)13(9-17)11-19-15-5-3-4-14(16)8-15/h3-5,8,12-13H,2,6-7,9-11,17H2,1H3
InChIKeyPTVZITQACFZWEZ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.64
Rot. Bonds6

About 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine

3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine (PubChem CID 117237900) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
PubChem CID117237900
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
SMILESCCN1CCC(C(CN)COc2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-2-18-7-6-12(10-18)13(9-17)11-19-15-5-3-4-14(16)8-15/h3-5,8,12-13H,2,6-7,9-11,17H2,1H3
InChIKeyPTVZITQACFZWEZ-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
CID 117239255
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973250
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
CID 63069680
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine (CID 117237900) is 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine is CCN1CCC(C(CN)COc2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is PTVZITQACFZWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-18-7-6-12(10-18)13(9-17)11-19-15-5-3-4-14(16)8-15/h3-5,8,12-13H,2,6-7,9-11,17H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine?
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 282.81 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 117237900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).