4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine

C12H18N2O2 — CID 82617230

IUPAC4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(C2CNCC2N)c1
InChIInChI=1S/C12H18N2O2/c1-15-9-3-8(4-10(5-9)16-2)11-6-14-7-12(11)13/h3-5,11-12,14H,6-7,13H2,1-2H3
InChIKeyNGLFJVFDGDQRHO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.72
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine

4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine (PubChem CID 82617230) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine
PubChem CID82617230
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(C2CNCC2N)c1
InChIInChI=1S/C12H18N2O2/c1-15-9-3-8(4-10(5-9)16-2)11-6-14-7-12(11)13/h3-5,11-12,14H,6-7,13H2,1-2H3
InChIKeyNGLFJVFDGDQRHO-UHFFFAOYSA-N
XLogP0.72
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine (CID 82617230) is 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine is COc1cc(OC)cc(C2CNCC2N)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine?
The InChIKey is NGLFJVFDGDQRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-9-3-8(4-10(5-9)16-2)11-6-14-7-12(11)13/h3-5,11-12,14H,6-7,13H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine?
4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 82617230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).