5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine

C14H15Cl2N3 — CID 61257415

IUPAC5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESCN(CCc1ccncc1)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C14H15Cl2N3/c1-19(9-6-11-4-7-17-8-5-11)14-3-2-12(16)13(10-15)18-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyQTKBYTVPIOTECR-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine

5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine (PubChem CID 61257415) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
PubChem CID61257415
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESCN(CCc1ccncc1)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C14H15Cl2N3/c1-19(9-6-11-4-7-17-8-5-11)14-3-2-12(16)13(10-15)18-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyQTKBYTVPIOTECR-UHFFFAOYSA-N
XLogP3.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112663600
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79850485
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359
[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255835
2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895691
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767255
2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61411674
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine (CID 61257415) is 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine is CN(CCc1ccncc1)c1ccc(Cl)c(CCl)n1.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The InChIKey is QTKBYTVPIOTECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-19(9-6-11-4-7-17-8-5-11)14-3-2-12(16)13(10-15)18-14/h2-5,7-8H,6,9-10H2,1H3.
What are the key properties of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine has a molecular weight of 296.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 61257415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).