N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine

C15H24N2O — CID 62435763

IUPACN-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
SMILESCNCc1ccc(CN(CCOC)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-16-11-13-3-5-14(6-4-13)12-17(9-10-18-2)15-7-8-15/h3-6,15-16H,7-12H2,1-2H3
InChIKeyCGSWTLAILLJMFK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine

N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62435763) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
PubChem CID62435763
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
SMILESCNCc1ccc(CN(CCOC)C2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-16-11-13-3-5-14(6-4-13)12-17(9-10-18-2)15-7-8-15/h3-6,15-16H,7-12H2,1-2H3
InChIKeyCGSWTLAILLJMFK-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine (CID 62435763) is N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine is CNCc1ccc(CN(CCOC)C2CC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is CGSWTLAILLJMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-11-13-3-5-14(6-4-13)12-17(9-10-18-2)15-7-8-15/h3-6,15-16H,7-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine?
N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62435763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).