N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline

C16H21N3 — CID 63887243

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1ccnc(CN)c1)c1ccccc1C
InChIInChI=1S/C16H21N3/c1-3-19(16-7-5-4-6-13(16)2)12-14-8-9-18-15(10-14)11-17/h4-10H,3,11-12,17H2,1-2H3
InChIKeyVHOHLUWUGBMHCQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.88
Rot. Bonds5

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline (PubChem CID 63887243) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline
PubChem CID63887243
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1ccnc(CN)c1)c1ccccc1C
InChIInChI=1S/C16H21N3/c1-3-19(16-7-5-4-6-13(16)2)12-14-8-9-18-15(10-14)11-17/h4-10H,3,11-12,17H2,1-2H3
InChIKeyVHOHLUWUGBMHCQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43318808
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
CID 63887251
N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine
CID 103069098
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline
CID 103997968
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]aniline
CID 62470305
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-2-methylaniline
CID 43253642
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methylbutan-2-amine
CID 63887639
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
CID 63886675
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline (CID 63887243) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline is CCN(Cc1ccnc(CN)c1)c1ccccc1C.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline?
The InChIKey is VHOHLUWUGBMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19(16-7-5-4-6-13(16)2)12-14-8-9-18-15(10-14)11-17/h4-10H,3,11-12,17H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline has a molecular weight of 255.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 63887243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).