3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine

C16H26N2O — CID 112500967

IUPAC3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)c1ccc(OCC(CN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)14-5-7-16(8-6-14)19-12-15(11-17)18-9-3-4-10-18/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyRMDNSFHUIGKEBU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.61
Rot. Bonds6

About 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine

3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 112500967) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID112500967
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)c1ccc(OCC(CN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)14-5-7-16(8-6-14)19-12-15(11-17)18-9-3-4-10-18/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyRMDNSFHUIGKEBU-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine (CID 112500967) is 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine is CC(C)c1ccc(OCC(CN)N2CCCC2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RMDNSFHUIGKEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)14-5-7-16(8-6-14)19-12-15(11-17)18-9-3-4-10-18/h5-8,13,15H,3-4,9-12,17H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 112500967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).