2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine

C13H19ClN2O — CID 117237457

IUPAC2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2O/c1-16-7-6-10(8-16)13(15)9-17-12-4-2-11(14)3-5-12/h2-5,10,13H,6-9,15H2,1H3
InChIKeyVCQQDQNGPXEVLX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.00
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine

2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 117237457) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID117237457
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2O/c1-16-7-6-10(8-16)13(15)9-17-12-4-2-11(14)3-5-12/h2-5,10,13H,6-9,15H2,1H3
InChIKeyVCQQDQNGPXEVLX-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine
CID 105151113
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine (CID 117237457) is 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine is CN1CCC(C(N)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is VCQQDQNGPXEVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-7-6-10(8-16)13(15)9-17-12-4-2-11(14)3-5-12/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine?
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 117237457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).