4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline

C17H22ClN3 — CID 114847708

IUPAC4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCCNCc1cc(Cl)ccc1N(C)CCc1ccccn1
InChIInChI=1S/C17H22ClN3/c1-3-19-13-14-12-15(18)7-8-17(14)21(2)11-9-16-6-4-5-10-20-16/h4-8,10,12,19H,3,9,11,13H2,1-2H3
InChIKeyLHMIKRLAEJLFCM-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.52
Rot. Bonds7

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

4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 114847708) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID114847708
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCCNCc1cc(Cl)ccc1N(C)CCc1ccccn1
InChIInChI=1S/C17H22ClN3/c1-3-19-13-14-12-15(18)7-8-17(14)21(2)11-9-16-6-4-5-10-20-16/h4-8,10,12,19H,3,9,11,13H2,1-2H3
InChIKeyLHMIKRLAEJLFCM-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 81146369
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 114851960
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506
3-(ethylaminomethyl)-N-methyl-N-(2-phenylethyl)pyridin-4-amine
CID 81248283
[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
CID 62121542
[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
CID 28963656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (CID 114847708) is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline is CCNCc1cc(Cl)ccc1N(C)CCc1ccccn1.
What is the InChIKey of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is LHMIKRLAEJLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-19-13-14-12-15(18)7-8-17(14)21(2)11-9-16-6-4-5-10-20-16/h4-8,10,12,19H,3,9,11,13H2,1-2H3.
What are the key properties of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 303.84 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 114847708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).