(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine

C13H19NO — CID 59628765

IUPAC(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
SMILESCc1cc(C)cc(OC[C@H]2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-10-6-11(2)8-13(7-10)15-9-12-4-3-5-14-12/h6-8,12,14H,3-5,9H2,1-2H3/t12-/m1/s1
InChIKeyJTSRJGLUPIMRPT-GFCCVEGCSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds3

About (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine

(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine (PubChem CID 59628765) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
PubChem CID59628765
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
SMILESCc1cc(C)cc(OC[C@H]2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-10-6-11(2)8-13(7-10)15-9-12-4-3-5-14-12/h6-8,12,14H,3-5,9H2,1-2H3/t12-/m1/s1
InChIKeyJTSRJGLUPIMRPT-GFCCVEGCSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methyl-5-nitrophenoxy)methyl]piperidine
CID 112649703
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
CID 102820009
6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one
CID 99737462
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
N,2-dimethyl-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 23227060
2-[(3-ethoxy-5-nitrophenoxy)methyl]pyrrolidine
CID 80744438
3,5-dimethyl-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 65470583
2-[2-(3,5-dimethylphenoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine (CID 59628765) is (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine is Cc1cc(C)cc(OC[C@H]2CCCN2)c1.
What is the InChIKey of (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine?
The InChIKey is JTSRJGLUPIMRPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-11(2)8-13(7-10)15-9-12-4-3-5-14-12/h6-8,12,14H,3-5,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine?
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 59628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).