5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine

C15H16Cl2N2 — CID 61411674

IUPAC5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CN(C)c2ccc(Cl)c(CCl)n2)c1
InChIInChI=1S/C15H16Cl2N2/c1-11-4-3-5-12(8-11)10-19(2)15-7-6-13(17)14(9-16)18-15/h3-8H,9-10H2,1-2H3
InChIKeyQATBPYKAPCWQOT-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.42
Rot. Bonds4

About 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine

5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine (PubChem CID 61411674) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
PubChem CID61411674
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CN(C)c2ccc(Cl)c(CCl)n2)c1
InChIInChI=1S/C15H16Cl2N2/c1-11-4-3-5-12(8-11)10-19(2)15-7-6-13(17)14(9-16)18-15/h3-8H,9-10H2,1-2H3
InChIKeyQATBPYKAPCWQOT-UHFFFAOYSA-N
XLogP4.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 55054743
6-chloro-2-cyclopropyl-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80953491
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
6-methoxy-2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,5-diamine
CID 61413982
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79850485
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112663600
5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 114919313
2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
2-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255835
3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine (CID 61411674) is 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine is Cc1cccc(CN(C)c2ccc(Cl)c(CCl)n2)c1.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is QATBPYKAPCWQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-11-4-3-5-12(8-11)10-19(2)15-7-6-13(17)14(9-16)18-15/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 295.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 61411674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).