(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine

C15H22FN — CID 164887975

IUPAC(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(F)cc1)CCC
InChIInChI=1S/C15H22FN/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14/h5-10H,3-4,11-13H2,1-2H3/b6-5+
InChIKeyOMWGLGDQTQCKOJ-AATRIKPKSA-N
MW235.35 g/mol
LogP3.96
Rot. Bonds7

About (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine

(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine (PubChem CID 164887975) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
PubChem CID164887975
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
SMILESCCCN(C/C=C/c1ccc(F)cc1)CCC
InChIInChI=1S/C15H22FN/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14/h5-10H,3-4,11-13H2,1-2H3/b6-5+
InChIKeyOMWGLGDQTQCKOJ-AATRIKPKSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine (CID 164887975) is (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine is CCCN(C/C=C/c1ccc(F)cc1)CCC.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
The InChIKey is OMWGLGDQTQCKOJ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-11-17(12-4-2)13-5-6-14-7-9-15(16)10-8-14/h5-10H,3-4,11-13H2,1-2H3/b6-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine?
(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine is sourced from PubChem (CID 164887975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).