2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine

C13H19NO — CID 84778649

IUPAC2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
SMILESCOc1cccc(C)c1CC1CCCN1
InChIInChI=1S/C13H19NO/c1-10-5-3-7-13(15-2)12(10)9-11-6-4-8-14-11/h3,5,7,11,14H,4,6,8-9H2,1-2H3
InChIKeyHSUAGWBJYRKUAD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds3

About 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine

2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine (PubChem CID 84778649) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
PubChem CID84778649
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
SMILESCOc1cccc(C)c1CC1CCCN1
InChIInChI=1S/C13H19NO/c1-10-5-3-7-13(15-2)12(10)9-11-6-4-8-14-11/h3,5,7,11,14H,4,6,8-9H2,1-2H3
InChIKeyHSUAGWBJYRKUAD-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
CID 117118272
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine (CID 84778649) is 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine is COc1cccc(C)c1CC1CCCN1.
What is the InChIKey of 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine?
The InChIKey is HSUAGWBJYRKUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-3-7-13(15-2)12(10)9-11-6-4-8-14-11/h3,5,7,11,14H,4,6,8-9H2,1-2H3.
What are the key properties of 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine?
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84778649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).