N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine

C16H19ClN2 — CID 61255946

IUPACN-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
SMILESCc1cc(C)c(CCl)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C16H19ClN2/c1-12-9-13(2)18-16(15(12)10-17)19(3)11-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyFTQXDUQJJMQDSF-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.07
Rot. Bonds4

About N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine

N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine (PubChem CID 61255946) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
PubChem CID61255946
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC NameN-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
SMILESCc1cc(C)c(CCl)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C16H19ClN2/c1-12-9-13(2)18-16(15(12)10-17)19(3)11-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyFTQXDUQJJMQDSF-UHFFFAOYSA-N
XLogP4.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.07
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 N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine?
The IUPAC name of N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine (CID 61255946) is N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine.
What is the SMILES notation for N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine?
The canonical SMILES for N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine is Cc1cc(C)c(CCl)c(N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine?
The InChIKey is FTQXDUQJJMQDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-9-13(2)18-16(15(12)10-17)19(3)11-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3.
What are the key properties of N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine?
N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine has a molecular weight of 274.79 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 N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine is sourced from PubChem (CID 61255946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).