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

C17H18FN — CID 6538063

IUPAC(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12+
InChIKeyAFPIPXOMKSOJBH-SFQUDFHCSA-N
MW255.34 g/mol
LogP3.82
Rot. Bonds4

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

(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 6538063) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID6538063
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12+
InChIKeyAFPIPXOMKSOJBH-SFQUDFHCSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.82
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-dimethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 6538063) is (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine is CN(C)C/C=C(\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is AFPIPXOMKSOJBH-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H18FN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12+.
What are the key properties of (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine has a molecular weight of 255.34 g/mol, XLogP of 3.82, 4 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-dimethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 6538063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).