(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine

C14H21NO — CID 169188321

IUPAC(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
SMILESCCN1CCC[C@@H]1COc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-3-15-10-4-5-13(15)11-16-14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyUMYLIADSPVGYLW-CYBMUJFWSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds4

About (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine

(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine (PubChem CID 169188321) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
PubChem CID169188321
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
SMILESCCN1CCC[C@@H]1COc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-3-15-10-4-5-13(15)11-16-14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyUMYLIADSPVGYLW-CYBMUJFWSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
CID 152601566
tert-butyl 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 68999157
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylphenoxy)butyl]guanidine
CID 111060809
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one
CID 156500885
1-butyl-2-[(4-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 19863415
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
4-ethyl-3-(phenoxymethyl)morpholine
CID 140776542

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine (CID 169188321) is (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine is CCN1CCC[C@@H]1COc1ccc(C)cc1.
What is the InChIKey of (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine?
The InChIKey is UMYLIADSPVGYLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-10-4-5-13(15)11-16-14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine?
(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 169188321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).