3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine

C13H17ClF3N3O — CID 43236295

IUPAC3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H17ClF3N3O/c14-11-8-10(13(15,16)17)9-19-12(11)18-2-1-3-20-4-6-21-7-5-20/h8-9H,1-7H2,(H,18,19)
InChIKeyDYXPTZUBODAQML-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.89
Rot. Bonds5

About 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43236295) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43236295
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H17ClF3N3O/c14-11-8-10(13(15,16)17)9-19-12(11)18-2-1-3-20-4-6-21-7-5-20/h8-9H,1-7H2,(H,18,19)
InChIKeyDYXPTZUBODAQML-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine (CID 43236295) is 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DYXPTZUBODAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c14-11-8-10(13(15,16)17)9-19-12(11)18-2-1-3-20-4-6-21-7-5-20/h8-9H,1-7H2,(H,18,19).
What are the key properties of 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 323.75 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43236295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).