2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine

C15H24N2O — CID 117028629

IUPAC2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine
SMILESCC(C)Oc1ccc(N2CCCC2CCN)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)18-15-7-5-14(6-8-15)17-11-3-4-13(17)9-10-16/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyIPVWYNRCJDEVDS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine

2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine (PubChem CID 117028629) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine
PubChem CID117028629
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine
SMILESCC(C)Oc1ccc(N2CCCC2CCN)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)18-15-7-5-14(6-8-15)17-11-3-4-13(17)9-10-16/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyIPVWYNRCJDEVDS-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine (CID 117028629) is 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine is CC(C)Oc1ccc(N2CCCC2CCN)cc1.
What is the InChIKey of 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine?
The InChIKey is IPVWYNRCJDEVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)18-15-7-5-14(6-8-15)17-11-3-4-13(17)9-10-16/h5-8,12-13H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine?
2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 117028629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).