4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine

C16H21N3 — CID 142817862

IUPAC4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
SMILESCCc1ccc(N)cc1N(C)CCc1ccncc1
InChIInChI=1S/C16H21N3/c1-3-14-4-5-15(17)12-16(14)19(2)11-8-13-6-9-18-10-7-13/h4-7,9-10,12H,3,8,11,17H2,1-2H3
InChIKeyFYNYTKBMUDOPFK-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.91
Rot. Bonds5

About 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine

4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine (PubChem CID 142817862) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
PubChem CID142817862
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
SMILESCCc1ccc(N)cc1N(C)CCc1ccncc1
InChIInChI=1S/C16H21N3/c1-3-14-4-5-15(17)12-16(14)19(2)11-8-13-6-9-18-10-7-13/h4-7,9-10,12H,3,8,11,17H2,1-2H3
InChIKeyFYNYTKBMUDOPFK-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-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-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine
CID 145462378
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
3-N,2-dimethyl-3-N-(2-pyridin-4-ylethyl)-2H-1,4-benzoxazine-3,7-diamine
CID 82368194
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80730242
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
3-bromo-4-[methyl(2-pyridin-4-ylethyl)amino]benzonitrile
CID 82713869
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436700

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
The IUPAC name of 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine (CID 142817862) is 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine is CCc1ccc(N)cc1N(C)CCc1ccncc1.
What is the InChIKey of 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
The InChIKey is FYNYTKBMUDOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-14-4-5-15(17)12-16(14)19(2)11-8-13-6-9-18-10-7-13/h4-7,9-10,12H,3,8,11,17H2,1-2H3.
What are the key properties of 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 142817862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).