5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine

C15H16Cl2N2 — CID 81234824

IUPAC5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2Cl)c(CCl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-11-7-15(13(8-16)9-18-11)19(2)10-12-5-3-4-6-14(12)17/h3-7,9H,8,10H2,1-2H3
InChIKeyUOBKKRLMDNYGBD-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.42
Rot. Bonds4

About 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine

5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine (PubChem CID 81234824) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine
PubChem CID81234824
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2Cl)c(CCl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-11-7-15(13(8-16)9-18-11)19(2)10-12-5-3-4-6-14(12)17/h3-7,9H,8,10H2,1-2H3
InChIKeyUOBKKRLMDNYGBD-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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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine (CID 81234824) is 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine is Cc1cc(N(C)Cc2ccccc2Cl)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine?
The InChIKey is UOBKKRLMDNYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-11-7-15(13(8-16)9-18-11)19(2)10-12-5-3-4-6-14(12)17/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine?
5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-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-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine is sourced from PubChem (CID 81234824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).