2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C14H14Cl2N2 — CID 110454690

IUPAC2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-18(10-7-11-5-8-17-9-6-11)13-4-2-3-12(15)14(13)16/h2-6,8-9H,7,10H2,1H3
InChIKeyYZCJPJBFMGEYSK-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.07
Rot. Bonds4

About 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline

2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 110454690) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID110454690
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2/c1-18(10-7-11-5-8-17-9-6-11)13-4-2-3-12(15)14(13)16/h2-6,8-9H,7,10H2,1H3
InChIKeyYZCJPJBFMGEYSK-UHFFFAOYSA-N
XLogP4.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60912716
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60915259
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
6-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861905
3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
CID 78939866
5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 61257415
N-(2,3-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 109001465
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 76883719

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 110454690) is 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CN(CCc1ccncc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is YZCJPJBFMGEYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-18(10-7-11-5-8-17-9-6-11)13-4-2-3-12(15)14(13)16/h2-6,8-9H,7,10H2,1H3.
What are the key properties of 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 281.19 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 110454690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).