3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine

C13H19ClN2O — CID 117237962

IUPAC3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
SMILESNCC(COc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C13H19ClN2O/c14-12-1-3-13(4-2-12)17-9-11(7-15)10-5-6-16-8-10/h1-4,10-11,16H,5-9,15H2
InChIKeyMUNVMDVQXGJFHR-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.90
Rot. Bonds5

About 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine

3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine (PubChem CID 117237962) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
PubChem CID117237962
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
SMILESNCC(COc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C13H19ClN2O/c14-12-1-3-13(4-2-12)17-9-11(7-15)10-5-6-16-8-10/h1-4,10-11,16H,5-9,15H2
InChIKeyMUNVMDVQXGJFHR-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
CID 117237963
2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
CID 117237460
3-(4-chlorophenoxy)-2-(thian-4-yl)propan-1-amine
CID 117239379
2-pyrrolidin-3-ylbutan-1-amine
CID 82594434
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
(3S)-3-[(1S)-1-(4-chlorophenoxy)-2-methylpropyl]pyrrolidine;hydrochloride
CID 56602587
2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
CID 117237470
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
2-(3-fluorophenoxy)-1-pyrrolidin-3-ylethanamine
CID 117237369
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
[2-(4-chlorophenoxy)-1-cyclobutylethyl]hydrazine
CID 105340102
4-[3-amino-2-(1,1-dioxothian-4-yl)propoxy]phenol
CID 117239371

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine (CID 117237962) is 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine is NCC(COc1ccc(Cl)cc1)C1CCNC1.
What is the InChIKey of 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine?
The InChIKey is MUNVMDVQXGJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-12-1-3-13(4-2-12)17-9-11(7-15)10-5-6-16-8-10/h1-4,10-11,16H,5-9,15H2.
What are the key properties of 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine?
3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine has a molecular weight of 254.76 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine is sourced from PubChem (CID 117237962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).