4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine

C20H28N2O3 — CID 170871078

IUPAC4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
SMILESCOc1cccc(OCCn2cccc2CCCN2CCOCC2)c1
InChIInChI=1S/C20H28N2O3/c1-23-19-7-2-8-20(17-19)25-16-13-22-10-4-6-18(22)5-3-9-21-11-14-24-15-12-21/h2,4,6-8,10,17H,3,5,9,11-16H2,1H3
InChIKeyWZKQLNFXHURDGG-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.84
Rot. Bonds9

About 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine

4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine (PubChem CID 170871078) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
PubChem CID170871078
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
SMILESCOc1cccc(OCCn2cccc2CCCN2CCOCC2)c1
InChIInChI=1S/C20H28N2O3/c1-23-19-7-2-8-20(17-19)25-16-13-22-10-4-6-18(22)5-3-9-21-11-14-24-15-12-21/h2,4,6-8,10,17H,3,5,9,11-16H2,1H3
InChIKeyWZKQLNFXHURDGG-UHFFFAOYSA-N
XLogP2.84
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 7331033

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine (CID 170871078) is 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine is COc1cccc(OCCn2cccc2CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine?
The InChIKey is WZKQLNFXHURDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-23-19-7-2-8-20(17-19)25-16-13-22-10-4-6-18(22)5-3-9-21-11-14-24-15-12-21/h2,4,6-8,10,17H,3,5,9,11-16H2,1H3.
What are the key properties of 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine?
4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine has a molecular weight of 344.46 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine is sourced from PubChem (CID 170871078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).