[4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate

C15H22N2O3 — CID 176556052

IUPAC[4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCNc1ccc(COC(=O)N2CCCC2COC)cc1
InChIInChI=1S/C15H22N2O3/c1-16-13-7-5-12(6-8-13)10-20-15(18)17-9-3-4-14(17)11-19-2/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyJFSDHWVEJDZMQS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.48
Rot. Bonds5

About [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate

[4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 176556052) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID176556052
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCNc1ccc(COC(=O)N2CCCC2COC)cc1
InChIInChI=1S/C15H22N2O3/c1-16-13-7-5-12(6-8-13)10-20-15(18)17-9-3-4-14(17)11-19-2/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyJFSDHWVEJDZMQS-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl (2S)-2-(dimethoxyphosphorylmethyl)pyrrolidine-1-carboxylate
CID 10592285
benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
CID 59006552
benzyl (2S)-2-(2-hydroxypropoxymethyl)pyrrolidine-1-carboxylate
CID 177494316
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-[(4-methoxyphenyl)methylamino]phenyl]ethanone
CID 170159398
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
CID 167208592
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 176556052) is [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate is CNc1ccc(COC(=O)N2CCCC2COC)cc1.
What is the InChIKey of [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is JFSDHWVEJDZMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-13-7-5-12(6-8-13)10-20-15(18)17-9-3-4-14(17)11-19-2/h5-8,14,16H,3-4,9-11H2,1-2H3.
What are the key properties of [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate?
[4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]methyl 2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 176556052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).