5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline

C16H20ClN3 — CID 114848350

IUPAC5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCCNCc1ccc(Cl)cc1N(C)Cc1ccncc1
InChIInChI=1S/C16H20ClN3/c1-3-18-11-14-4-5-15(17)10-16(14)20(2)12-13-6-8-19-9-7-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyMWUYDHGJWGUHFZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.48
Rot. Bonds6

About 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline

5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 114848350) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID114848350
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCCNCc1ccc(Cl)cc1N(C)Cc1ccncc1
InChIInChI=1S/C16H20ClN3/c1-3-18-11-14-4-5-15(17)10-16(14)20(2)12-13-6-8-19-9-7-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyMWUYDHGJWGUHFZ-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 114848350) is 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline is CCNCc1ccc(Cl)cc1N(C)Cc1ccncc1.
What is the InChIKey of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is MWUYDHGJWGUHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-18-11-14-4-5-15(17)10-16(14)20(2)12-13-6-8-19-9-7-13/h4-10,18H,3,11-12H2,1-2H3.
What are the key properties of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline?
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 289.81 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 114848350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).