N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline

C17H23N3 — CID 61448906

IUPACN-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
SMILESCCNCc1ccccc1N(CC)Cc1ccncc1
InChIInChI=1S/C17H23N3/c1-3-18-13-16-7-5-6-8-17(16)20(4-2)14-15-9-11-19-12-10-15/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyKBKNQJIXWUDRMX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.22
Rot. Bonds7

About N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline

N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline (PubChem CID 61448906) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
PubChem CID61448906
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
SMILESCCNCc1ccccc1N(CC)Cc1ccncc1
InChIInChI=1S/C17H23N3/c1-3-18-13-16-7-5-6-8-17(16)20(4-2)14-15-9-11-19-12-10-15/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyKBKNQJIXWUDRMX-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073292
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 43280633
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62292980
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
CID 43281523
[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol
CID 61448819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline (CID 61448906) is N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline is CCNCc1ccccc1N(CC)Cc1ccncc1.
What is the InChIKey of N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is KBKNQJIXWUDRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-18-13-16-7-5-6-8-17(16)20(4-2)14-15-9-11-19-12-10-15/h5-12,18H,3-4,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline?
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 61448906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).