3-(2,4,6-trimethylphenoxy)pyrrolidine

C13H19NO — CID 83532626

IUPAC3-(2,4,6-trimethylphenoxy)pyrrolidine
SMILESCc1cc(C)c(OC2CCNC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)13(11(3)7-9)15-12-4-5-14-8-12/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyFOUMDKLOSMTBEQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.35
Rot. Bonds2

About 3-(2,4,6-trimethylphenoxy)pyrrolidine

3-(2,4,6-trimethylphenoxy)pyrrolidine (PubChem CID 83532626) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenoxy)pyrrolidine
PubChem CID83532626
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2,4,6-trimethylphenoxy)pyrrolidine
SMILESCc1cc(C)c(OC2CCNC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)13(11(3)7-9)15-12-4-5-14-8-12/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyFOUMDKLOSMTBEQ-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
4-(3,5-dimethylphenoxy)piperidine
CID 20735339
4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine
CID 10224086
3-(4-methylphenoxy)pyrrolidine
CID 18337173
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
3-(3,5-dimethylphenoxy)azepane
CID 82019169
5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine
CID 95031425
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
CID 117477272
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenoxy)pyrrolidine?
The IUPAC name of 3-(2,4,6-trimethylphenoxy)pyrrolidine (CID 83532626) is 3-(2,4,6-trimethylphenoxy)pyrrolidine.
What is the SMILES notation for 3-(2,4,6-trimethylphenoxy)pyrrolidine?
The canonical SMILES for 3-(2,4,6-trimethylphenoxy)pyrrolidine is Cc1cc(C)c(OC2CCNC2)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenoxy)pyrrolidine?
The InChIKey is FOUMDKLOSMTBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-10(2)13(11(3)7-9)15-12-4-5-14-8-12/h6-7,12,14H,4-5,8H2,1-3H3.
What are the key properties of 3-(2,4,6-trimethylphenoxy)pyrrolidine?
3-(2,4,6-trimethylphenoxy)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenoxy)pyrrolidine is sourced from PubChem (CID 83532626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).