2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine

C13H20N2O — CID 3158581

IUPAC2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-10,14H2,1H3
InChIKeyMQRPNOSBMHBKSJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine

2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 3158581) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID3158581
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-10,14H2,1H3
InChIKeyMQRPNOSBMHBKSJ-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine (CID 3158581) is 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine is COc1ccc(C(CN)N2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is MQRPNOSBMHBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-10,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 3158581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).