5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine

C16H18ClFN2O — CID 178141581

IUPAC5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine
SMILESCC(C)Cc1ncc(OCc2c(F)cccc2Cl)cc1N
InChIInChI=1S/C16H18ClFN2O/c1-10(2)6-16-15(19)7-11(8-20-16)21-9-12-13(17)4-3-5-14(12)18/h3-5,7-8,10H,6,9,19H2,1-2H3
InChIKeyCATZIYSFJXSDRN-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.23
Rot. Bonds5

About 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine

5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine (PubChem CID 178141581) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine
PubChem CID178141581
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine
SMILESCC(C)Cc1ncc(OCc2c(F)cccc2Cl)cc1N
InChIInChI=1S/C16H18ClFN2O/c1-10(2)6-16-15(19)7-11(8-20-16)21-9-12-13(17)4-3-5-14(12)18/h3-5,7-8,10H,6,9,19H2,1-2H3
InChIKeyCATZIYSFJXSDRN-UHFFFAOYSA-N
XLogP4.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine (CID 178141581) is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine is CC(C)Cc1ncc(OCc2c(F)cccc2Cl)cc1N.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine?
The InChIKey is CATZIYSFJXSDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-10(2)6-16-15(19)7-11(8-20-16)21-9-12-13(17)4-3-5-14(12)18/h3-5,7-8,10H,6,9,19H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine?
5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine has a molecular weight of 308.78 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine is sourced from PubChem (CID 178141581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).