N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C16H24N2O2 — CID 62512555

IUPACN-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(N2CCC(CNC3CC3)C2)c(OC)c1
InChIInChI=1S/C16H24N2O2/c1-19-14-5-6-15(16(9-14)20-2)18-8-7-12(11-18)10-17-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyDGYHPXZOZRYKFR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.28
Rot. Bonds6

About N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62512555) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62512555
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(N2CCC(CNC3CC3)C2)c(OC)c1
InChIInChI=1S/C16H24N2O2/c1-19-14-5-6-15(16(9-14)20-2)18-8-7-12(11-18)10-17-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyDGYHPXZOZRYKFR-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
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'}

Analyze N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine 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

3-[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpropan-1-amine
CID 83982024
N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511468
N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512722
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081383
N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513267
2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 125174267
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513534
2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline
CID 106760054

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62512555) is N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is COc1ccc(N2CCC(CNC3CC3)C2)c(OC)c1.
What is the InChIKey of N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is DGYHPXZOZRYKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-14-5-6-15(16(9-14)20-2)18-8-7-12(11-18)10-17-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 276.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62512555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).