[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

C15H24N2O2 — CID 117018796

IUPAC[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(N2CC(CN)CC2(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-15(2)8-11(9-16)10-17(15)13-6-5-12(18-3)7-14(13)19-4/h5-7,11H,8-10,16H2,1-4H3
InChIKeyLTJVHOXPSKYRMW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.27
Rot. Bonds4

About [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 117018796) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID117018796
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(N2CC(CN)CC2(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-15(2)8-11(9-16)10-17(15)13-6-5-12(18-3)7-14(13)19-4/h5-7,11H,8-10,16H2,1-4H3
InChIKeyLTJVHOXPSKYRMW-UHFFFAOYSA-N
XLogP2.27
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (CID 117018796) is [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is COc1ccc(N2CC(CN)CC2(C)C)c(OC)c1.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is LTJVHOXPSKYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)8-11(9-16)10-17(15)13-6-5-12(18-3)7-14(13)19-4/h5-7,11H,8-10,16H2,1-4H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117018796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).