2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine

C16H20F3N — CID 167506599

IUPAC2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine
SMILESCC(C)=CC(CN)c1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N/c1-10(2)7-13(9-20)12-5-6-14(11-3-4-11)15(8-12)16(17,18)19/h5-8,11,13H,3-4,9,20H2,1-2H3
InChIKeyMMPXSQAWYNBYPS-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.59
Rot. Bonds4

About 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine

2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine (PubChem CID 167506599) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine
PubChem CID167506599
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine
SMILESCC(C)=CC(CN)c1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N/c1-10(2)7-13(9-20)12-5-6-14(11-3-4-11)15(8-12)16(17,18)19/h5-8,11,13H,3-4,9,20H2,1-2H3
InChIKeyMMPXSQAWYNBYPS-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine?
The IUPAC name of 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine (CID 167506599) is 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine.
What is the SMILES notation for 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine?
The canonical SMILES for 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine is CC(C)=CC(CN)c1ccc(C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine?
The InChIKey is MMPXSQAWYNBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-10(2)7-13(9-20)12-5-6-14(11-3-4-11)15(8-12)16(17,18)19/h5-8,11,13H,3-4,9,20H2,1-2H3.
What are the key properties of 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine?
2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine has a molecular weight of 283.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine is sourced from PubChem (CID 167506599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).