N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline

C17H23N3 — CID 60913207

IUPACN-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline
SMILESCNC(C)c1ccc(N(C)CCc2ccncc2)cc1
InChIInChI=1S/C17H23N3/c1-14(18-2)16-4-6-17(7-5-16)20(3)13-10-15-8-11-19-12-9-15/h4-9,11-12,14,18H,10,13H2,1-3H3
InChIKeyARGPIJZLHOCGKE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.04
Rot. Bonds6

About N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline

N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 60913207) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline
PubChem CID60913207
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline
SMILESCNC(C)c1ccc(N(C)CCc2ccncc2)cc1
InChIInChI=1S/C17H23N3/c1-14(18-2)16-4-6-17(7-5-16)20(3)13-10-15-8-11-19-12-9-15/h4-9,11-12,14,18H,10,13H2,1-3H3
InChIKeyARGPIJZLHOCGKE-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563488
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983750
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
CID 112983683
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109237100
1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 115940386
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 78934572
2-[1-(methylamino)ethyl]-5-[methyl(pyridin-4-ylmethyl)amino]phenol
CID 79599888
[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
CID 62134201
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline (CID 60913207) is N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline is CNC(C)c1ccc(N(C)CCc2ccncc2)cc1.
What is the InChIKey of N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is ARGPIJZLHOCGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(18-2)16-4-6-17(7-5-16)20(3)13-10-15-8-11-19-12-9-15/h4-9,11-12,14,18H,10,13H2,1-3H3.
What are the key properties of N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline?
N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 60913207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).