N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine

C15H25N3 — CID 43220494

IUPACN',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H25N3/c1-17(2)12-9-16-13-14-7-3-4-8-15(14)18-10-5-6-11-18/h3-4,7-8,16H,5-6,9-13H2,1-2H3
InChIKeyCQXQKYNFEWVBAE-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.94
Rot. Bonds6

About N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine (PubChem CID 43220494) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
PubChem CID43220494
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H25N3/c1-17(2)12-9-16-13-14-7-3-4-8-15(14)18-10-5-6-11-18/h3-4,7-8,16H,5-6,9-13H2,1-2H3
InChIKeyCQXQKYNFEWVBAE-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine 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

2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478327
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine (CID 43220494) is N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine is CN(C)CCNCc1ccccc1N1CCCC1.
What is the InChIKey of N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is CQXQKYNFEWVBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)12-9-16-13-14-7-3-4-8-15(14)18-10-5-6-11-18/h3-4,7-8,16H,5-6,9-13H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 43220494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).