N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine

C13H16F3N — CID 79347467

IUPACN-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCCCNCC=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-2-9-17-10-5-7-11-6-3-4-8-12(11)13(14,15)16/h3-8,17H,2,9-10H2,1H3
InChIKeyAWJHXNXYCIUJGF-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.72
Rot. Bonds5

About N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine

N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 79347467) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID79347467
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCCCNCC=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-2-9-17-10-5-7-11-6-3-4-8-12(11)13(14,15)16/h3-8,17H,2,9-10H2,1H3
InChIKeyAWJHXNXYCIUJGF-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 79347467) is N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine is CCCNCC=Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is AWJHXNXYCIUJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-2-9-17-10-5-7-11-6-3-4-8-12(11)13(14,15)16/h3-8,17H,2,9-10H2,1H3.
What are the key properties of N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 79347467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).