3-(4-methylphenoxy)pyrrolidine

C11H15NO — CID 18337173

IUPAC3-(4-methylphenoxy)pyrrolidine
SMILESCc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)13-11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyMITIXABGNXFZBO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.74
Rot. Bonds2

About 3-(4-methylphenoxy)pyrrolidine

3-(4-methylphenoxy)pyrrolidine (PubChem CID 18337173) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(4-methylphenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(4-methylphenoxy)pyrrolidine
PubChem CID18337173
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(4-methylphenoxy)pyrrolidine
SMILESCc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)13-11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyMITIXABGNXFZBO-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-fluoro-4-methylphenyl)phenoxy]pyrrolidine
CID 90736825
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
3-(3-methylphenoxy)pyrrolidine
CID 18337170
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
3-(4-nitrosophenoxy)pyrrolidine
CID 152791507
3-[4-(difluoromethyl)phenoxy]pyrrolidine
CID 115028194
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
2-methyl-5-pyrrolidin-3-yloxypyridine;dihydrochloride
CID 86775669

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)pyrrolidine?
The IUPAC name of 3-(4-methylphenoxy)pyrrolidine (CID 18337173) is 3-(4-methylphenoxy)pyrrolidine.
What is the SMILES notation for 3-(4-methylphenoxy)pyrrolidine?
The canonical SMILES for 3-(4-methylphenoxy)pyrrolidine is Cc1ccc(OC2CCNC2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)pyrrolidine?
The InChIKey is MITIXABGNXFZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)13-11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of 3-(4-methylphenoxy)pyrrolidine?
3-(4-methylphenoxy)pyrrolidine has a molecular weight of 177.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)pyrrolidine is sourced from PubChem (CID 18337173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).