3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine

C14H14Cl2N2 — CID 63445549

IUPAC3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
SMILESCCN(c1ccccc1)c1ncc(CCl)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-2-18(12-6-4-3-5-7-12)14-13(16)8-11(9-15)10-17-14/h3-8,10H,2,9H2,1H3
InChIKeyCQBGNFWXPJVCNS-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.63
Rot. Bonds4

About 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine

3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine (PubChem CID 63445549) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
PubChem CID63445549
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
SMILESCCN(c1ccccc1)c1ncc(CCl)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-2-18(12-6-4-3-5-7-12)14-13(16)8-11(9-15)10-17-14/h3-8,10H,2,9H2,1H3
InChIKeyCQBGNFWXPJVCNS-UHFFFAOYSA-N
XLogP4.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.63
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-ethyl-N-phenylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine (CID 63445549) is 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine is CCN(c1ccccc1)c1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine?
The InChIKey is CQBGNFWXPJVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-2-18(12-6-4-3-5-7-12)14-13(16)8-11(9-15)10-17-14/h3-8,10H,2,9H2,1H3.
What are the key properties of 3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine?
3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine has a molecular weight of 281.19 g/mol, XLogP of 4.63, 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-ethyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 63445549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).