5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine

C17H23BrF3N3O — CID 163265434

IUPAC5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine
SMILESFC(F)(F)C1CCC(Nc2ncc(Br)cc2CN2CCOCC2)CC1
InChIInChI=1S/C17H23BrF3N3O/c18-14-9-12(11-24-5-7-25-8-6-24)16(22-10-14)23-15-3-1-13(2-4-15)17(19,20)21/h9-10,13,15H,1-8,11H2,(H,22,23)
InChIKeyWNEALNCCYGCREO-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.21
Rot. Bonds4

About 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine

5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine (PubChem CID 163265434) has the molecular formula C17H23BrF3N3O and a molecular weight of 422.29 g/mol. Its IUPAC name is 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine
PubChem CID163265434
Molecular FormulaC17H23BrF3N3O
Molecular Weight422.29 g/mol
Exact Mass421.10
IUPAC Name5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine
SMILESFC(F)(F)C1CCC(Nc2ncc(Br)cc2CN2CCOCC2)CC1
InChIInChI=1S/C17H23BrF3N3O/c18-14-9-12(11-24-5-7-25-8-6-24)16(22-10-14)23-15-3-1-13(2-4-15)17(19,20)21/h9-10,13,15H,1-8,11H2,(H,22,23)
InChIKeyWNEALNCCYGCREO-UHFFFAOYSA-N
XLogP4.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine (CID 163265434) is 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine is FC(F)(F)C1CCC(Nc2ncc(Br)cc2CN2CCOCC2)CC1.
What is the InChIKey of 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The InChIKey is WNEALNCCYGCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrF3N3O/c18-14-9-12(11-24-5-7-25-8-6-24)16(22-10-14)23-15-3-1-13(2-4-15)17(19,20)21/h9-10,13,15H,1-8,11H2,(H,22,23).
What are the key properties of 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine has a molecular weight of 422.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 163265434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).