(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine

C14H21NO — CID 126671210

IUPAC(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
SMILESCCc1cc(CO[C@@H]2CCNC2)ccc1C
InChIInChI=1S/C14H21NO/c1-3-13-8-12(5-4-11(13)2)10-16-14-6-7-15-9-14/h4-5,8,14-15H,3,6-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBMNCPRJTVDTOFW-CQSZACIVSA-N
MW219.33 g/mol
LogP2.44
Rot. Bonds4

About (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine

(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine (PubChem CID 126671210) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
PubChem CID126671210
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
SMILESCCc1cc(CO[C@@H]2CCNC2)ccc1C
InChIInChI=1S/C14H21NO/c1-3-13-8-12(5-4-11(13)2)10-16-14-6-7-15-9-14/h4-5,8,14-15H,3,6-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBMNCPRJTVDTOFW-CQSZACIVSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine?
The IUPAC name of (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine (CID 126671210) is (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine.
What is the SMILES notation for (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine?
The canonical SMILES for (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine is CCc1cc(CO[C@@H]2CCNC2)ccc1C.
What is the InChIKey of (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine?
The InChIKey is BMNCPRJTVDTOFW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-13-8-12(5-4-11(13)2)10-16-14-6-7-15-9-14/h4-5,8,14-15H,3,6-7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine?
(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine is sourced from PubChem (CID 126671210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).