(E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine

C18H21N — CID 90041868

IUPAC(E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine
SMILESC/C=C(/CNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-17(18-11-7-4-8-12-18)15-19-14-13-16-9-5-3-6-10-16/h2-12,19H,13-15H2,1H3/b17-2-
InChIKeyPFQLUENANMBZKM-LILWFEGDSA-N
MW251.37 g/mol
LogP3.92
Rot. Bonds6

About (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine

(E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine (PubChem CID 90041868) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine
PubChem CID90041868
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine
SMILESC/C=C(/CNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-17(18-11-7-4-8-12-18)15-19-14-13-16-9-5-3-6-10-16/h2-12,19H,13-15H2,1H3/b17-2-
InChIKeyPFQLUENANMBZKM-LILWFEGDSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine
CID 139900914
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
(Z)-3-ethenyl-N-(2-phenylethyl)pent-3-en-1-amine
CID 137380998
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
benzene;2-phenylethylbenzene
CID 18982764
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine?
The IUPAC name of (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine (CID 90041868) is (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine.
What is the SMILES notation for (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine?
The canonical SMILES for (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine is C/C=C(/CNCCc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine?
The InChIKey is PFQLUENANMBZKM-LILWFEGDSA-N. The full InChI is InChI=1S/C18H21N/c1-2-17(18-11-7-4-8-12-18)15-19-14-13-16-9-5-3-6-10-16/h2-12,19H,13-15H2,1H3/b17-2-.
What are the key properties of (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine?
(E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-(2-phenylethyl)but-2-en-1-amine is sourced from PubChem (CID 90041868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).