3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

C17H26N2O — CID 60856262

IUPAC3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCC2CCN(C)C2)C1
InChIInChI=1S/C17H26N2O/c1-19-8-7-13(12-19)11-18-15-9-14(10-15)16-5-3-4-6-17(16)20-2/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyAENSTLSISHVHGF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.48
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 60856262) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID60856262
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCC2CCN(C)C2)C1
InChIInChI=1S/C17H26N2O/c1-19-8-7-13(12-19)11-18-15-9-14(10-15)16-5-3-4-6-17(16)20-2/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyAENSTLSISHVHGF-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (CID 60856262) is 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is COc1ccccc1C1CC(NCC2CCN(C)C2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is AENSTLSISHVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-8-7-13(12-19)11-18-15-9-14(10-15)16-5-3-4-6-17(16)20-2/h3-6,13-15,18H,7-12H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 60856262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).