1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine

C14H23N3O — CID 81465021

IUPAC1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCOc1cc(N2CC(C)C(N(C)C)C2)ccc1N
InChIInChI=1S/C14H23N3O/c1-10-8-17(9-13(10)16(2)3)11-5-6-12(15)14(7-11)18-4/h5-7,10,13H,8-9,15H2,1-4H3
InChIKeyUPIZLJHKGUCGTN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine

1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81465021) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81465021
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCOc1cc(N2CC(C)C(N(C)C)C2)ccc1N
InChIInChI=1S/C14H23N3O/c1-10-8-17(9-13(10)16(2)3)11-5-6-12(15)14(7-11)18-4/h5-7,10,13H,8-9,15H2,1-4H3
InChIKeyUPIZLJHKGUCGTN-UHFFFAOYSA-N
XLogP1.66
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81465021) is 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine is COc1cc(N2CC(C)C(N(C)C)C2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is UPIZLJHKGUCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-8-17(9-13(10)16(2)3)11-5-6-12(15)14(7-11)18-4/h5-7,10,13H,8-9,15H2,1-4H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81465021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).