3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine

C16H21N3 — CID 55075691

IUPAC3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCCN(Cc1cccnc1NC)c1ccccc1C
InChIInChI=1S/C16H21N3/c1-4-19(15-10-6-5-8-13(15)2)12-14-9-7-11-18-16(14)17-3/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyROSBUMNFULBNEJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.46
Rot. Bonds5

About 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine

3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine (PubChem CID 55075691) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
PubChem CID55075691
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCCN(Cc1cccnc1NC)c1ccccc1C
InChIInChI=1S/C16H21N3/c1-4-19(15-10-6-5-8-13(15)2)12-14-9-7-11-18-16(14)17-3/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyROSBUMNFULBNEJ-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
CID 62895735
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
CID 75415758
3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 63956312
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 112650618
N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline
CID 62423302
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389

Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine (CID 55075691) is 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine is CCN(Cc1cccnc1NC)c1ccccc1C.
What is the InChIKey of 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine?
The InChIKey is ROSBUMNFULBNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-19(15-10-6-5-8-13(15)2)12-14-9-7-11-18-16(14)17-3/h5-11H,4,12H2,1-3H3,(H,17,18).
What are the key properties of 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine?
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 55075691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).