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

C18H24N2O3 — CID 86803794

IUPAC4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine
SMILESCOc1cccc(OCCN2CCOCC2c2cccn2C)c1
InChIInChI=1S/C18H24N2O3/c1-19-8-4-7-17(19)18-14-22-11-9-20(18)10-12-23-16-6-3-5-15(13-16)21-2/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyCPEMRWSRGDMHKI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.49
Rot. Bonds6

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

4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine (PubChem CID 86803794) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine.

Molecular Properties

Compound Name4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine
PubChem CID86803794
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine
SMILESCOc1cccc(OCCN2CCOCC2c2cccn2C)c1
InChIInChI=1S/C18H24N2O3/c1-19-8-4-7-17(19)18-14-22-11-9-20(18)10-12-23-16-6-3-5-15(13-16)21-2/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyCPEMRWSRGDMHKI-UHFFFAOYSA-N
XLogP2.49
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484070
(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 99631897
(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one
CID 129430025
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-methylpyrrol-2-yl)morpholine
CID 86803644
4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
CID 170871078
(2R,3S)-4-[2-(3-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 128987031
N,N,6-trimethyl-2-[(3R)-4-(2-phenoxyethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124998959
N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide
CID 86803826
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
3-[2-(3-cyclopropylmorpholin-4-yl)ethoxy]benzoic acid
CID 136575380
1-[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]-N-methylmethanamine
CID 83100712
N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83102040

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine?
The IUPAC name of 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine (CID 86803794) is 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine.
What is the SMILES notation for 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine?
The canonical SMILES for 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine is COc1cccc(OCCN2CCOCC2c2cccn2C)c1.
What is the InChIKey of 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine?
The InChIKey is CPEMRWSRGDMHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-19-8-4-7-17(19)18-14-22-11-9-20(18)10-12-23-16-6-3-5-15(13-16)21-2/h3-8,13,18H,9-12,14H2,1-2H3.
What are the key properties of 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine?
4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine has a molecular weight of 316.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenoxy)ethyl]-3-(1-methylpyrrol-2-yl)morpholine is sourced from PubChem (CID 86803794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).