3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine

C15H16Cl2N2 — CID 63446387

IUPAC3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine
SMILESCCc1ccc(N(C)c2ncc(CCl)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2/c1-3-11-4-6-13(7-5-11)19(2)15-14(17)8-12(9-16)10-18-15/h4-8,10H,3,9H2,1-2H3
InChIKeyCLLXGQXNSRIORU-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.80
Rot. Bonds4

About 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine

3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine (PubChem CID 63446387) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine
PubChem CID63446387
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine
SMILESCCc1ccc(N(C)c2ncc(CCl)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2/c1-3-11-4-6-13(7-5-11)19(2)15-14(17)8-12(9-16)10-18-15/h4-8,10H,3,9H2,1-2H3
InChIKeyCLLXGQXNSRIORU-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine (CID 63446387) is 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine is CCc1ccc(N(C)c2ncc(CCl)cc2Cl)cc1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine?
The InChIKey is CLLXGQXNSRIORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-3-11-4-6-13(7-5-11)19(2)15-14(17)8-12(9-16)10-18-15/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine?
3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine has a molecular weight of 295.21 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63446387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).