3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine

C14H22N2O — CID 170867943

IUPAC3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine
SMILESCOc1cc(CCCN)ccc1N1CCCC1
InChIInChI=1S/C14H22N2O/c1-17-14-11-12(5-4-8-15)6-7-13(14)16-9-2-3-10-16/h6-7,11H,2-5,8-10,15H2,1H3
InChIKeyUIINNFMIRZCPNG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds5

About 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine

3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine (PubChem CID 170867943) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine
PubChem CID170867943
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine
SMILESCOc1cc(CCCN)ccc1N1CCCC1
InChIInChI=1S/C14H22N2O/c1-17-14-11-12(5-4-8-15)6-7-13(14)16-9-2-3-10-16/h6-7,11H,2-5,8-10,15H2,1H3
InChIKeyUIINNFMIRZCPNG-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine?
The IUPAC name of 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine (CID 170867943) is 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine is COc1cc(CCCN)ccc1N1CCCC1.
What is the InChIKey of 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine?
The InChIKey is UIINNFMIRZCPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-11-12(5-4-8-15)6-7-13(14)16-9-2-3-10-16/h6-7,11H,2-5,8-10,15H2,1H3.
What are the key properties of 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine?
3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 170867943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).