(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene

C23H24F3NO — CID 142355183

IUPAC(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene
SMILESC=CC.CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1coc2ccccc12
InChIInChI=1S/C20H18F3NO.C3H6/c1-24(13-16-14-25-19-7-3-2-6-18(16)19)12-4-5-15-8-10-17(11-9-15)20(21,22)23;1-3-2/h2-11,14H,12-13H2,1H3;3H,1H2,2H3/b5-4+;
InChIKeyVRINOWGMNZMZDJ-FXRZFVDSSA-N
MW387.45 g/mol
LogP6.79
Rot. Bonds5

About (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene

(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene (PubChem CID 142355183) has the molecular formula C23H24F3NO and a molecular weight of 387.45 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene
PubChem CID142355183
Molecular FormulaC23H24F3NO
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene
SMILESC=CC.CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1coc2ccccc12
InChIInChI=1S/C20H18F3NO.C3H6/c1-24(13-16-14-25-19-7-3-2-6-18(16)19)12-4-5-15-8-10-17(11-9-15)20(21,22)23;1-3-2/h2-11,14H,12-13H2,1H3;3H,1H2,2H3/b5-4+;
InChIKeyVRINOWGMNZMZDJ-FXRZFVDSSA-N
XLogP6.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
methyl 4-[(E)-3-[1-benzofuran-3-ylmethyl(methyl)amino]prop-1-enyl]benzoate
CID 134559937
(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 134559949
N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 176731995
(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127048961
(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
CID 134559936
(E)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 127045124
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
(E)-3-(4-bromophenyl)-N-(4,5-dihydro-1-benzofuran-3-ylmethyl)-N-methylprop-2-en-1-amine
CID 139539961
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine
CID 127050271
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
CID 54202558

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene?
The IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene (CID 142355183) is (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene.
What is the SMILES notation for (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene?
The canonical SMILES for (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene is C=CC.CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1coc2ccccc12.
What is the InChIKey of (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene?
The InChIKey is VRINOWGMNZMZDJ-FXRZFVDSSA-N. The full InChI is InChI=1S/C20H18F3NO.C3H6/c1-24(13-16-14-25-19-7-3-2-6-18(16)19)12-4-5-15-8-10-17(11-9-15)20(21,22)23;1-3-2/h2-11,14H,12-13H2,1H3;3H,1H2,2H3/b5-4+;.
What are the key properties of (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene?
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene has a molecular weight of 387.45 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene is sourced from PubChem (CID 142355183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).