N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine

C14H22N2O2 — CID 81467101

IUPACN-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(NC2CC(C)N(C)C2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(9-16(10)2)15-13-6-5-12(17-3)8-14(13)18-4/h5-6,8,10-11,15H,7,9H2,1-4H3
InChIKeyUJBRIMNPKBWVKY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine

N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81467101) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81467101
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(NC2CC(C)N(C)C2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(9-16(10)2)15-13-6-5-12(17-3)8-14(13)18-4/h5-6,8,10-11,15H,7,9H2,1-4H3
InChIKeyUJBRIMNPKBWVKY-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-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

Related Compounds

N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466424
N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466523
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466833
N-(2-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465704
N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 102852892
N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81465818
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
methyl 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-fluorobenzoate
CID 81466913
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81467101) is N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine is COc1ccc(NC2CC(C)N(C)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is UJBRIMNPKBWVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-11(9-16(10)2)15-13-6-5-12(17-3)8-14(13)18-4/h5-6,8,10-11,15H,7,9H2,1-4H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 250.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81467101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).