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

C12H14FN — CID 117282442

IUPAC(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(C2CC2)c(F)c1
InChIInChI=1S/C12H14FN/c13-12-8-9(2-1-7-14)3-6-11(12)10-4-5-10/h1-3,6,8,10H,4-5,7,14H2/b2-1+
InChIKeyYVPGHOSWNQTZIR-OWOJBTEDSA-N
MW191.25 g/mol
LogP2.67
Rot. Bonds3

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

(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine (PubChem CID 117282442) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine
PubChem CID117282442
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(C2CC2)c(F)c1
InChIInChI=1S/C12H14FN/c13-12-8-9(2-1-7-14)3-6-11(12)10-4-5-10/h1-3,6,8,10H,4-5,7,14H2/b2-1+
InChIKeyYVPGHOSWNQTZIR-OWOJBTEDSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine (CID 117282442) is (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine is NC/C=C/c1ccc(C2CC2)c(F)c1.
What is the InChIKey of (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine?
The InChIKey is YVPGHOSWNQTZIR-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H14FN/c13-12-8-9(2-1-7-14)3-6-11(12)10-4-5-10/h1-3,6,8,10H,4-5,7,14H2/b2-1+.
What are the key properties of (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine?
(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine has a molecular weight of 191.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 117282442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).