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

C14H21NO — CID 102820009

IUPAC(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
SMILESCc1cc(C)c(C)c(OC[C@H]2CCCN2)c1
InChIInChI=1S/C14H21NO/c1-10-7-11(2)12(3)14(8-10)16-9-13-5-4-6-15-13/h7-8,13,15H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyICABCKIHLUIBFV-CYBMUJFWSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds3

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

(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine (PubChem CID 102820009) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
PubChem CID102820009
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
SMILESCc1cc(C)c(C)c(OC[C@H]2CCCN2)c1
InChIInChI=1S/C14H21NO/c1-10-7-11(2)12(3)14(8-10)16-9-13-5-4-6-15-13/h7-8,13,15H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyICABCKIHLUIBFV-CYBMUJFWSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216
(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582
3,5-dimethyl-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 65470583
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
4-(azepan-2-ylmethoxy)-3-methylphenol
CID 84698847
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine (CID 102820009) is (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine is Cc1cc(C)c(C)c(OC[C@H]2CCCN2)c1.
What is the InChIKey of (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine?
The InChIKey is ICABCKIHLUIBFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-11(2)12(3)14(8-10)16-9-13-5-4-6-15-13/h7-8,13,15H,4-6,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine?
(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 102820009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).