1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine

C15H24N2O — CID 82296667

IUPAC1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOc1ccc(C(C(C)N)N2CCCC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-10-13(6-7-14(11)18-3)15(12(2)16)17-8-4-5-9-17/h6-7,10,12,15H,4-5,8-9,16H2,1-3H3
InChIKeyIJYFSBVGDIFLIJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds4

About 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine

1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 82296667) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID82296667
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOc1ccc(C(C(C)N)N2CCCC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-10-13(6-7-14(11)18-3)15(12(2)16)17-8-4-5-9-17/h6-7,10,12,15H,4-5,8-9,16H2,1-3H3
InChIKeyIJYFSBVGDIFLIJ-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 82296667) is 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine is COc1ccc(C(C(C)N)N2CCCC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is IJYFSBVGDIFLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-10-13(6-7-14(11)18-3)15(12(2)16)17-8-4-5-9-17/h6-7,10,12,15H,4-5,8-9,16H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine?
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 82296667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).