2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine

C16H26N2O — CID 55148767

IUPAC2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCC(C)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-13-6-8-18(12-13)16-5-4-15(14(2)10-16)11-17-7-9-19-3/h4-5,10,13,17H,6-9,11-12H2,1-3H3
InChIKeyXZMRDIXOKLWKCB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds6

About 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine

2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 55148767) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
PubChem CID55148767
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCC(C)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-13-6-8-18(12-13)16-5-4-15(14(2)10-16)11-17-7-9-19-3/h4-5,10,13,17H,6-9,11-12H2,1-3H3
InChIKeyXZMRDIXOKLWKCB-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine (CID 55148767) is 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine is COCCNCc1ccc(N2CCC(C)C2)cc1C.
What is the InChIKey of 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is XZMRDIXOKLWKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-8-18(12-13)16-5-4-15(14(2)10-16)11-17-7-9-19-3/h4-5,10,13,17H,6-9,11-12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 55148767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).