2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine

C19H29NO2 — CID 54248259

IUPAC2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-20-14-5-6-16(20)13-15-21-17-9-11-19(12-10-17)22-18-7-3-2-4-8-18/h9-12,16,18H,2-8,13-15H2,1H3
InChIKeyQUWKECHLJKKBSF-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.26
Rot. Bonds6

About 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine

2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine (PubChem CID 54248259) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
PubChem CID54248259
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-20-14-5-6-16(20)13-15-21-17-9-11-19(12-10-17)22-18-7-3-2-4-8-18/h9-12,16,18H,2-8,13-15H2,1H3
InChIKeyQUWKECHLJKKBSF-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
2-[2-[4-(4-chlorobut-1-ynyl)phenoxy]ethyl]-1-methylpiperidine
CID 107913150
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine (CID 54248259) is 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine is CN1CCCC1CCOc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
The InChIKey is QUWKECHLJKKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-20-14-5-6-16(20)13-15-21-17-9-11-19(12-10-17)22-18-7-3-2-4-8-18/h9-12,16,18H,2-8,13-15H2,1H3.
What are the key properties of 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine has a molecular weight of 303.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 54248259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).