3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine

C14H22N2O2 — CID 15624038

IUPAC3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
SMILESCOc1ccccc1OC1CCN(CCCN)C1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-2-3-6-14(13)18-12-7-10-16(11-12)9-4-8-15/h2-3,5-6,12H,4,7-11,15H2,1H3
InChIKeyFMBPYMNKTAPPSA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.50
Rot. Bonds6

About 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine

3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine (PubChem CID 15624038) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
PubChem CID15624038
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
SMILESCOc1ccccc1OC1CCN(CCCN)C1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-2-3-6-14(13)18-12-7-10-16(11-12)9-4-8-15/h2-3,5-6,12H,4,7-11,15H2,1H3
InChIKeyFMBPYMNKTAPPSA-UHFFFAOYSA-N
XLogP1.50
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine (CID 15624038) is 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine is COc1ccccc1OC1CCN(CCCN)C1.
What is the InChIKey of 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine?
The InChIKey is FMBPYMNKTAPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-13-5-2-3-6-14(13)18-12-7-10-16(11-12)9-4-8-15/h2-3,5-6,12H,4,7-11,15H2,1H3.
What are the key properties of 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine?
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine is sourced from PubChem (CID 15624038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).