1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine

C15H24N2O2 — CID 117017135

IUPAC1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(OC)cc2OC)C1(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2)14(16-3)8-9-17(15)12-7-6-11(18-4)10-13(12)19-5/h6-7,10,14,16H,8-9H2,1-5H3
InChIKeyPXHFVYQDBWVLPD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine

1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine (PubChem CID 117017135) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine
PubChem CID117017135
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(OC)cc2OC)C1(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2)14(16-3)8-9-17(15)12-7-6-11(18-4)10-13(12)19-5/h6-7,10,14,16H,8-9H2,1-5H3
InChIKeyPXHFVYQDBWVLPD-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 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 ≤ 52.28
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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Related Compounds

1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
CID 117024245
3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81418351
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071
1-(2,5-dimethoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018248
[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018796
3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
CID 83982024
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine
CID 64924000
1-(4-methoxy-2-methylphenyl)-N-methylpiperidin-4-amine
CID 55129581
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
(1S,2S,6S,7S)-4-(2,4-dimethoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98154970
N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63418869
1-(2,4-dimethoxyphenyl)-2-methyl-1,5-diazocane
CID 117014759

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine (CID 117017135) is 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine is CNC1CCN(c2ccc(OC)cc2OC)C1(C)C.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The InChIKey is PXHFVYQDBWVLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)14(16-3)8-9-17(15)12-7-6-11(18-4)10-13(12)19-5/h6-7,10,14,16H,8-9H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 2.28, 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)-N,2,2-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117017135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).