6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane

C18H21ClF3N3O2 — CID 143206283

IUPAC6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane
SMILESCC.FC(F)(F)Oc1ccc(Nc2cc(N3CCOCC3)cc(Cl)n2)cc1
InChIInChI=1S/C16H15ClF3N3O2.C2H6/c17-14-9-12(23-5-7-24-8-6-23)10-15(22-14)21-11-1-3-13(4-2-11)25-16(18,19)20;1-2/h1-4,9-10H,5-8H2,(H,21,22);1-2H3
InChIKeyIYDWUCXZRNBELQ-UHFFFAOYSA-N
MW403.83 g/mol
LogP5.24
Rot. Bonds4

About 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane

6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane (PubChem CID 143206283) has the molecular formula C18H21ClF3N3O2 and a molecular weight of 403.83 g/mol. Its IUPAC name is 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane
PubChem CID143206283
Molecular FormulaC18H21ClF3N3O2
Molecular Weight403.83 g/mol
Exact Mass403.13
IUPAC Name6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane
SMILESCC.FC(F)(F)Oc1ccc(Nc2cc(N3CCOCC3)cc(Cl)n2)cc1
InChIInChI=1S/C16H15ClF3N3O2.C2H6/c17-14-9-12(23-5-7-24-8-6-23)10-15(22-14)21-11-1-3-13(4-2-11)25-16(18,19)20;1-2/h1-4,9-10H,5-8H2,(H,21,22);1-2H3
InChIKeyIYDWUCXZRNBELQ-UHFFFAOYSA-N
XLogP5.24
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.83
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080
4-methoxy-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 1273820
2-[3-[2-morpholin-4-yl-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]acetaldehyde
CID 87792851
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2,4,6-trichloropyrimidine;4-(trifluoromethoxy)aniline
CID 159576870
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 59982998
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
3-morpholin-4-yl-5-(trifluoromethoxy)benzoic acid
CID 67454022
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane?
The IUPAC name of 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane (CID 143206283) is 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane.
What is the SMILES notation for 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane?
The canonical SMILES for 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane is CC.FC(F)(F)Oc1ccc(Nc2cc(N3CCOCC3)cc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane?
The InChIKey is IYDWUCXZRNBELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2.C2H6/c17-14-9-12(23-5-7-24-8-6-23)10-15(22-14)21-11-1-3-13(4-2-11)25-16(18,19)20;1-2/h1-4,9-10H,5-8H2,(H,21,22);1-2H3.
What are the key properties of 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane?
6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane has a molecular weight of 403.83 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane is sourced from PubChem (CID 143206283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).