N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine

C11H14FN — CID 57443416

IUPACN-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1ccccc1F
InChIInChI=1S/C11H14FN/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h2-6,13H,1,7-9H2
InChIKeyFGVLAJCSMZOJIF-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine

N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 57443416) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine
PubChem CID57443416
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1ccccc1F
InChIInChI=1S/C11H14FN/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h2-6,13H,1,7-9H2
InChIKeyFGVLAJCSMZOJIF-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine (CID 57443416) is N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine is C=CCNCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is FGVLAJCSMZOJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h2-6,13H,1,7-9H2.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine?
N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 57443416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).