2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine

C14H21NO — CID 117270776

IUPAC2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine
SMILESCOCC1(C)CC(c2cccc(C)c2)CN1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(7-11)13-8-14(2,10-16-3)15-9-13/h4-7,13,15H,8-10H2,1-3H3
InChIKeyIWACMPVOHVTNHK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.48
Rot. Bonds3

About 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine

2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine (PubChem CID 117270776) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine
PubChem CID117270776
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine
SMILESCOCC1(C)CC(c2cccc(C)c2)CN1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-12(7-11)13-8-14(2,10-16-3)15-9-13/h4-7,13,15H,8-10H2,1-3H3
InChIKeyIWACMPVOHVTNHK-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 117270769
2-(methoxymethyl)-2-methyl-4-(5-methylfuran-2-yl)pyrrolidine
CID 117270642
2-(methoxymethyl)-2-methyl-4-(2-methylphenyl)piperidine
CID 117258589
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470
2,2-dimethyl-5-(3-methylphenyl)-1,3-oxazolidine
CID 82281404
4-cyclopropyl-2-(methoxymethyl)-2-methylpyrrolidine
CID 117270856
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
2-(methoxymethyl)-2,5-dimethyl-1,3-dihydroindole
CID 117193542
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
CID 117116652
(3S)-3-(3-methylphenyl)piperazin-2-one
CID 55252949
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116450
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine (CID 117270776) is 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine is COCC1(C)CC(c2cccc(C)c2)CN1.
What is the InChIKey of 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine?
The InChIKey is IWACMPVOHVTNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-12(7-11)13-8-14(2,10-16-3)15-9-13/h4-7,13,15H,8-10H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine?
2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methyl-4-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 117270776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).