5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine

C16H19ClN2 — CID 81234979

IUPAC5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine
SMILESCCc1ccc(N(C)c2cc(C)ncc2CCl)cc1
InChIInChI=1S/C16H19ClN2/c1-4-13-5-7-15(8-6-13)19(3)16-9-12(2)18-11-14(16)10-17/h5-9,11H,4,10H2,1-3H3
InChIKeyHDIIZZJXVHVFQL-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.46
Rot. Bonds4

About 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine

5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine (PubChem CID 81234979) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine
PubChem CID81234979
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine
SMILESCCc1ccc(N(C)c2cc(C)ncc2CCl)cc1
InChIInChI=1S/C16H19ClN2/c1-4-13-5-7-15(8-6-13)19(3)16-9-12(2)18-11-14(16)10-17/h5-9,11H,4,10H2,1-3H3
InChIKeyHDIIZZJXVHVFQL-UHFFFAOYSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.46
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

5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81238502
5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine
CID 81234440
N,2-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81248842
5-(chloromethyl)-4-ethyl-2-methylpyridine
CID 168797453
3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 63446387
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine
CID 81234834
5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine
CID 81234824
5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine
CID 112663613
5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 81233598
5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81235646
N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81247042

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine (CID 81234979) is 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine is CCc1ccc(N(C)c2cc(C)ncc2CCl)cc1.
What is the InChIKey of 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine?
The InChIKey is HDIIZZJXVHVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-4-13-5-7-15(8-6-13)19(3)16-9-12(2)18-11-14(16)10-17/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine?
5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine has a molecular weight of 274.80 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine is sourced from PubChem (CID 81234979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).