5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine

C14H18F3N — CID 166775747

IUPAC5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine
SMILESC=C(CCC(C)N)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-9-4-7-12(10(2)5-6-11(3)18)13(8-9)14(15,16)17/h4,7-8,11H,2,5-6,18H2,1,3H3
InChIKeyPJGYDYDHPFGHMC-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.15
Rot. Bonds4

About 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine

5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine (PubChem CID 166775747) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine.

Molecular Properties

Compound Name5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine
PubChem CID166775747
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine
SMILESC=C(CCC(C)N)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-9-4-7-12(10(2)5-6-11(3)18)13(8-9)14(15,16)17/h4,7-8,11H,2,5-6,18H2,1,3H3
InChIKeyPJGYDYDHPFGHMC-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The IUPAC name of 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine (CID 166775747) is 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine.
What is the SMILES notation for 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The canonical SMILES for 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine is C=C(CCC(C)N)c1ccc(C)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The InChIKey is PJGYDYDHPFGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-9-4-7-12(10(2)5-6-11(3)18)13(8-9)14(15,16)17/h4,7-8,11H,2,5-6,18H2,1,3H3.
What are the key properties of 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine?
5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine has a molecular weight of 257.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(trifluoromethyl)phenyl]hex-5-en-2-amine is sourced from PubChem (CID 166775747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).