4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline

C14H19ClF3N — CID 43132873

IUPAC4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline
SMILESCC(C)CCC(C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H19ClF3N/c1-9(2)4-5-10(3)19-11-6-7-13(15)12(8-11)14(16,17)18/h6-10,19H,4-5H2,1-3H3
InChIKeyCPGBRNIQOYMAHH-UHFFFAOYSA-N
MW293.76 g/mol
LogP5.60
Rot. Bonds5

About 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline

4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline (PubChem CID 43132873) has the molecular formula C14H19ClF3N and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline
PubChem CID43132873
Molecular FormulaC14H19ClF3N
Molecular Weight293.76 g/mol
Exact Mass293.12
IUPAC Name4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline
SMILESCC(C)CCC(C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H19ClF3N/c1-9(2)4-5-10(3)19-11-6-7-13(15)12(8-11)14(16,17)18/h6-10,19H,4-5H2,1-3H3
InChIKeyCPGBRNIQOYMAHH-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.76
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline (CID 43132873) is 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline is CC(C)CCC(C)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline?
The InChIKey is CPGBRNIQOYMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N/c1-9(2)4-5-10(3)19-11-6-7-13(15)12(8-11)14(16,17)18/h6-10,19H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline?
4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline has a molecular weight of 293.76 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methylhexan-2-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43132873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).