3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine

C14H15ClN2O — CID 19693937

IUPAC3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine
SMILESCCc1nccc(NOCc2ccccc2)c1Cl
InChIInChI=1S/C14H15ClN2O/c1-2-12-14(15)13(8-9-16-12)17-18-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyPZNONPRSMYRVDY-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.84
Rot. Bonds5

About 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine

3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine (PubChem CID 19693937) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine
PubChem CID19693937
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine
SMILESCCc1nccc(NOCc2ccccc2)c1Cl
InChIInChI=1S/C14H15ClN2O/c1-2-12-14(15)13(8-9-16-12)17-18-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyPZNONPRSMYRVDY-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine?
The IUPAC name of 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine (CID 19693937) is 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine.
What is the SMILES notation for 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine?
The canonical SMILES for 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine is CCc1nccc(NOCc2ccccc2)c1Cl.
What is the InChIKey of 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine?
The InChIKey is PZNONPRSMYRVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-12-14(15)13(8-9-16-12)17-18-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine?
3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-N-phenylmethoxypyridin-4-amine is sourced from PubChem (CID 19693937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).