3-[1-(4-methylphenoxy)propyl]pyrrolidine

C14H21NO — CID 173284733

IUPAC3-[1-(4-methylphenoxy)propyl]pyrrolidine
SMILESCCC(Oc1ccc(C)cc1)C1CCNC1
InChIInChI=1S/C14H21NO/c1-3-14(12-8-9-15-10-12)16-13-6-4-11(2)5-7-13/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyGRJUGDZTZMEIOG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds4

About 3-[1-(4-methylphenoxy)propyl]pyrrolidine

3-[1-(4-methylphenoxy)propyl]pyrrolidine (PubChem CID 173284733) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[1-(4-methylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(4-methylphenoxy)propyl]pyrrolidine
PubChem CID173284733
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[1-(4-methylphenoxy)propyl]pyrrolidine
SMILESCCC(Oc1ccc(C)cc1)C1CCNC1
InChIInChI=1S/C14H21NO/c1-3-14(12-8-9-15-10-12)16-13-6-4-11(2)5-7-13/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyGRJUGDZTZMEIOG-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-(4-chloro-3,5-dimethylphenoxy)propyl]pyrrolidine
CID 66892676
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634
(3S)-3-[(1S)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66892286
(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine
CID 66892314
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
(3S)-3-[(1S)-1-(4-chloro-2-methylphenoxy)propyl]pyrrolidine
CID 66890259
(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
CID 66892345
[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
CID 22276061
3-[(1S)-1-(2-chloro-3,6-difluorophenoxy)propyl]pyrrolidine
CID 66891700
3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66861082
3-[(1S)-1-(4-chloro-2-fluorophenoxy)propyl]pyrrolidine
CID 66891945
(3S)-3-[(1S)-1-(2-ethyl-4-fluorophenoxy)propyl]pyrrolidine
CID 66848796

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenoxy)propyl]pyrrolidine?
The IUPAC name of 3-[1-(4-methylphenoxy)propyl]pyrrolidine (CID 173284733) is 3-[1-(4-methylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 3-[1-(4-methylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 3-[1-(4-methylphenoxy)propyl]pyrrolidine is CCC(Oc1ccc(C)cc1)C1CCNC1.
What is the InChIKey of 3-[1-(4-methylphenoxy)propyl]pyrrolidine?
The InChIKey is GRJUGDZTZMEIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(12-8-9-15-10-12)16-13-6-4-11(2)5-7-13/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of 3-[1-(4-methylphenoxy)propyl]pyrrolidine?
3-[1-(4-methylphenoxy)propyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 173284733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).