(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine

C25H26FN — CID 6444436

IUPAC(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine
SMILESCN(CC/C=C(\c1ccccc1)c1ccc(F)cc1)CCc1ccccc1
InChIInChI=1S/C25H26FN/c1-27(20-18-21-9-4-2-5-10-21)19-8-13-25(22-11-6-3-7-12-22)23-14-16-24(26)17-15-23/h2-7,9-17H,8,18-20H2,1H3/b25-13+
InChIKeySFIBOKVSHZEMSL-DHRITJCHSA-N
MW359.49 g/mol
LogP5.82
Rot. Bonds8

About (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine

(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine (PubChem CID 6444436) has the molecular formula C25H26FN and a molecular weight of 359.49 g/mol. Its IUPAC name is (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine
PubChem CID6444436
Molecular FormulaC25H26FN
Molecular Weight359.49 g/mol
Exact Mass359.20
IUPAC Name(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine
SMILESCN(CC/C=C(\c1ccccc1)c1ccc(F)cc1)CCc1ccccc1
InChIInChI=1S/C25H26FN/c1-27(20-18-21-9-4-2-5-10-21)19-8-13-25(22-11-6-3-7-12-22)23-14-16-24(26)17-15-23/h2-7,9-17H,8,18-20H2,1H3/b25-13+
InChIKeySFIBOKVSHZEMSL-DHRITJCHSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
CID 70090592
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
but-2-enedioic acid;3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
CID 70090594
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
(E)-4-[2-(4-fluorophenyl)ethyl-methylamino]but-2-enoic acid
CID 115237336
2-[4,4-bis(4-fluorophenyl)but-3-enyl]isoindole-1,3-dione
CID 110168474
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine?
The IUPAC name of (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine (CID 6444436) is (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine is CN(CC/C=C(\c1ccccc1)c1ccc(F)cc1)CCc1ccccc1.
What is the InChIKey of (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine?
The InChIKey is SFIBOKVSHZEMSL-DHRITJCHSA-N. The full InChI is InChI=1S/C25H26FN/c1-27(20-18-21-9-4-2-5-10-21)19-8-13-25(22-11-6-3-7-12-22)23-14-16-24(26)17-15-23/h2-7,9-17H,8,18-20H2,1H3/b25-13+.
What are the key properties of (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine?
(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine has a molecular weight of 359.49 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine is sourced from PubChem (CID 6444436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).