(E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine

C14H18FN — CID 115751631

IUPAC(E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine
SMILESFc1ccc(/C=C/CNCCC2CC2)cc1
InChIInChI=1S/C14H18FN/c15-14-7-5-12(6-8-14)2-1-10-16-11-9-13-3-4-13/h1-2,5-8,13,16H,3-4,9-11H2/b2-1+
InChIKeyNEHLJOOFMPVRPZ-OWOJBTEDSA-N
MW219.30 g/mol
LogP3.23
Rot. Bonds6

About (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine

(E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine (PubChem CID 115751631) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine
PubChem CID115751631
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine
SMILESFc1ccc(/C=C/CNCCC2CC2)cc1
InChIInChI=1S/C14H18FN/c15-14-7-5-12(6-8-14)2-1-10-16-11-9-13-3-4-13/h1-2,5-8,13,16H,3-4,9-11H2/b2-1+
InChIKeyNEHLJOOFMPVRPZ-OWOJBTEDSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.23
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 (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine (CID 115751631) is (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine is Fc1ccc(/C=C/CNCCC2CC2)cc1.
What is the InChIKey of (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
The InChIKey is NEHLJOOFMPVRPZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H18FN/c15-14-7-5-12(6-8-14)2-1-10-16-11-9-13-3-4-13/h1-2,5-8,13,16H,3-4,9-11H2/b2-1+.
What are the key properties of (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine?
(E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopropylethyl)-3-(4-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 115751631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).