3-[(2-methylphenyl)methoxymethyl]pyrrolidine

C13H19NO — CID 56829929

IUPAC3-[(2-methylphenyl)methoxymethyl]pyrrolidine
SMILESCc1ccccc1COCC1CCNC1
InChIInChI=1S/C13H19NO/c1-11-4-2-3-5-13(11)10-15-9-12-6-7-14-8-12/h2-5,12,14H,6-10H2,1H3
InChIKeyYWGKARSLELFUKA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds4

About 3-[(2-methylphenyl)methoxymethyl]pyrrolidine

3-[(2-methylphenyl)methoxymethyl]pyrrolidine (PubChem CID 56829929) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methoxymethyl]pyrrolidine
PubChem CID56829929
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(2-methylphenyl)methoxymethyl]pyrrolidine
SMILESCc1ccccc1COCC1CCNC1
InChIInChI=1S/C13H19NO/c1-11-4-2-3-5-13(11)10-15-9-12-6-7-14-8-12/h2-5,12,14H,6-10H2,1H3
InChIKeyYWGKARSLELFUKA-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
3-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769826
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
CID 114484471
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
CID 86321771

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 3-[(2-methylphenyl)methoxymethyl]pyrrolidine (CID 56829929) is 3-[(2-methylphenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(2-methylphenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[(2-methylphenyl)methoxymethyl]pyrrolidine is Cc1ccccc1COCC1CCNC1.
What is the InChIKey of 3-[(2-methylphenyl)methoxymethyl]pyrrolidine?
The InChIKey is YWGKARSLELFUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-2-3-5-13(11)10-15-9-12-6-7-14-8-12/h2-5,12,14H,6-10H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methoxymethyl]pyrrolidine?
3-[(2-methylphenyl)methoxymethyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 56829929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).