2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline

C14H19ClF3NO — CID 43147245

IUPAC2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline
SMILESCOC(C)(C)CC(C)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H19ClF3NO/c1-9(8-13(2,3)20-4)19-12-10(14(16,17)18)6-5-7-11(12)15/h5-7,9,19H,8H2,1-4H3
InChIKeyNMXOWJUELGRYIX-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.97
Rot. Bonds5

About 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline

2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline (PubChem CID 43147245) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline
PubChem CID43147245
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline
SMILESCOC(C)(C)CC(C)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H19ClF3NO/c1-9(8-13(2,3)20-4)19-12-10(14(16,17)18)6-5-7-11(12)15/h5-7,9,19H,8H2,1-4H3
InChIKeyNMXOWJUELGRYIX-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline (CID 43147245) is 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline is COC(C)(C)CC(C)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline?
The InChIKey is NMXOWJUELGRYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NO/c1-9(8-13(2,3)20-4)19-12-10(14(16,17)18)6-5-7-11(12)15/h5-7,9,19H,8H2,1-4H3.
What are the key properties of 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline?
2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline has a molecular weight of 309.76 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-4-methylpentan-2-yl)-6-(trifluoromethyl)aniline is sourced from PubChem (CID 43147245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).