N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline

C17H23N3 — CID 62136400

IUPACN-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
SMILESCCN(Cc1ccncc1)c1ccc(CNC)c(C)c1
InChIInChI=1S/C17H23N3/c1-4-20(13-15-7-9-19-10-8-15)17-6-5-16(12-18-3)14(2)11-17/h5-11,18H,4,12-13H2,1-3H3
InChIKeyOQHKTKHIDKCFFS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline

N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline (PubChem CID 62136400) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
PubChem CID62136400
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
SMILESCCN(Cc1ccncc1)c1ccc(CNC)c(C)c1
InChIInChI=1S/C17H23N3/c1-4-20(13-15-7-9-19-10-8-15)17-6-5-16(12-18-3)14(2)11-17/h5-11,18H,4,12-13H2,1-3H3
InChIKeyOQHKTKHIDKCFFS-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073292
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
4-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81272941
4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
CID 62944857
4-N-ethyl-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-diamine
CID 113367608
5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 114925871
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine
CID 66481440
2-[2-amino-5-[ethyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
CID 102624019
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline (CID 62136400) is N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline is CCN(Cc1ccncc1)c1ccc(CNC)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is OQHKTKHIDKCFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-20(13-15-7-9-19-10-8-15)17-6-5-16(12-18-3)14(2)11-17/h5-11,18H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 62136400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).