N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine

C14H19F2N — CID 115525800

IUPACN-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNC/C=C/c1ccc(C(F)F)cc1
InChIInChI=1S/C14H19F2N/c1-11(2)10-17-9-3-4-12-5-7-13(8-6-12)14(15)16/h3-8,11,14,17H,9-10H2,1-2H3/b4-3+
InChIKeyFDRJSXJEIZNMSC-ONEGZZNKSA-N
MW239.31 g/mol
LogP3.88
Rot. Bonds6

About N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine

N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 115525800) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
PubChem CID115525800
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNC/C=C/c1ccc(C(F)F)cc1
InChIInChI=1S/C14H19F2N/c1-11(2)10-17-9-3-4-12-5-7-13(8-6-12)14(15)16/h3-8,11,14,17H,9-10H2,1-2H3/b4-3+
InChIKeyFDRJSXJEIZNMSC-ONEGZZNKSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.88
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-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine (CID 115525800) is N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine is CC(C)CNC/C=C/c1ccc(C(F)F)cc1.
What is the InChIKey of N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is FDRJSXJEIZNMSC-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H19F2N/c1-11(2)10-17-9-3-4-12-5-7-13(8-6-12)14(15)16/h3-8,11,14,17H,9-10H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine?
N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115525800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).