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

C19H29NO2 — CID 23339385

IUPAC2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccccc1OC1CCCCC1
InChIInChI=1S/C19H29NO2/c1-20-14-7-8-16(20)13-15-21-18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3
InChIKeyZJOXIKNHGBTETI-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.26
Rot. Bonds6

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

2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine (PubChem CID 23339385) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
PubChem CID23339385
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccccc1OC1CCCCC1
InChIInChI=1S/C19H29NO2/c1-20-14-7-8-16(20)13-15-21-18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3
InChIKeyZJOXIKNHGBTETI-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

2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine (CID 23339385) is 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine is CN1CCCC1CCOc1ccccc1OC1CCCCC1.
What is the InChIKey of 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
The InChIKey is ZJOXIKNHGBTETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-20-14-7-8-16(20)13-15-21-18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3.
What are the key properties of 2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine?
2-[2-(2-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-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 23339385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).