1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine

C14H22N2O — CID 64599616

IUPAC1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(COC)C2)cc1
InChIInChI=1S/C14H22N2O/c1-15-9-12-3-5-14(6-4-12)16-8-7-13(10-16)11-17-2/h3-6,13,15H,7-11H2,1-2H3
InChIKeyCYJZBUVZCBZZHB-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds5

About 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine

1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine (PubChem CID 64599616) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine
PubChem CID64599616
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(COC)C2)cc1
InChIInChI=1S/C14H22N2O/c1-15-9-12-3-5-14(6-4-12)16-8-7-13(10-16)11-17-2/h3-6,13,15H,7-11H2,1-2H3
InChIKeyCYJZBUVZCBZZHB-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine (CID 64599616) is 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine is CNCc1ccc(N2CCC(COC)C2)cc1.
What is the InChIKey of 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine?
The InChIKey is CYJZBUVZCBZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-9-12-3-5-14(6-4-12)16-8-7-13(10-16)11-17-2/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine?
1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 64599616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).