[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine

C20H32N2O2 — CID 120967314

IUPAC[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cccc(OCC2(CN3CCC(C)(CN)C3)CCC2)c1
InChIInChI=1S/C20H32N2O2/c1-19(13-21)9-10-22(14-19)15-20(7-4-8-20)16-24-18-6-3-5-17(11-18)12-23-2/h3,5-6,11H,4,7-10,12-16,21H2,1-2H3
InChIKeyJBJGPRIFJPZVIJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.05
Rot. Bonds8

About [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120967314) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120967314
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cccc(OCC2(CN3CCC(C)(CN)C3)CCC2)c1
InChIInChI=1S/C20H32N2O2/c1-19(13-21)9-10-22(14-19)15-20(7-4-8-20)16-24-18-6-3-5-17(11-18)12-23-2/h3,5-6,11H,4,7-10,12-16,21H2,1-2H3
InChIKeyJBJGPRIFJPZVIJ-UHFFFAOYSA-N
XLogP3.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
CID 120965786
(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride
CID 120967118
(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride
CID 120966660
2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
CID 120966267
[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120772767
4-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-[(S)-methylsulfinyl]-1,2,4-triazole
CID 97063143
2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine
CID 68709013
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
CID 71018372

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120967314) is [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine is COCc1cccc(OCC2(CN3CCC(C)(CN)C3)CCC2)c1.
What is the InChIKey of [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JBJGPRIFJPZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-19(13-21)9-10-22(14-19)15-20(7-4-8-20)16-24-18-6-3-5-17(11-18)12-23-2/h3,5-6,11H,4,7-10,12-16,21H2,1-2H3.
What are the key properties of [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 332.49 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120967314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).